SCHEMBL347003

SCHEMBL347003

CN(C)[C@H]1CCN(Cc2cc[c]cc2C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.37
ABL1 P00519 2/20 0.36
KDM1A O60341 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RIPK2 O43353 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
ARAF P10398 1/20 0.36
BCR P11274 1/20 0.36
BRAF P15056 1/20 0.36
NQO2 P16083 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15859935 0.82 KDM4E (0.55) DDR1KDM4EALDH1A1MAPT
SCHEMBL15381987 0.79 DDR1 (0.49) DDR1ABL1KDM1ARIPK2LCK
SCHEMBL589421 0.78 NR1H2 (0.61) DDR1ABL1RIPK2LCKFYN
SCHEMBL28001612 0.78 MLNR (0.42) KDM4EALDH1A1MAPTABL1
SCHEMBL28816963 0.78 MLNR (0.42) KDM4EALDH1A1MAPTABL1
SCHEMBL589420 0.78 NR1H2 (0.61) DDR1ABL1RIPK2LCKFYN
SCHEMBL15687979 0.78 NR1H2 (0.61) DDR1ABL1RIPK2LCKFYN
SCHEMBL27081642 0.77 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL282609 0.76 HRH4 (0.39) HRH3
SCHEMBL1655534 0.76 ALDH1A1 (0.46) KDM4EALDH1A1RET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143716-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2017-05-25 US claimed
US-20150313900-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2015-11-05 US claimed
US-9061029-B2 Method of treating proliferative disorders and other pathological conditions mediated by Bcr-Abl, c-Kit, DDR1, DDR2 or PDGF-R kinase activity NOVARTIS AG (CH) 2015-06-23 US claimed
US-20140350037-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2014-11-27 US claimed
US-20130267549-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis NOVARTIS AG (CH) 2013-10-10 US claimed
US-20120289528-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2012-11-15 US claimed
EP-2501384-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY Novartis AG (CH) 2012-09-26 EP claimed
EP-2490690-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY Novartis AG (CH) 2012-08-29 EP claimed
US-20120202836-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2012-08-09 US claimed
US-20120015968-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE LEUCINE ZIPPER-AND STERILE ALPHA MOTIF-CONTAINING KINASE (ZAK) NOVARTIS AG (CH) 2012-01-19 US claimed
JP-2011528015-A 2011-11-10 JP claimed
WO-2011062927-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2011-05-26 WO claimed
US-20110124670-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis NOVARTIS AG (CH) 2011-05-26 US claimed
WO-2011050120-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2011-04-28 WO claimed
EP-2300014-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF FIBROSIS Novartis AG (CH) 2011-03-30 EP claimed
WO-2010007034-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF FIBROSIS NOVARTIS AG (CH) 2010-01-21 WO claimed
US-20170143716-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2017-05-25 US disclosed
US-20150313900-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2015-11-05 US disclosed
WO-2010100248-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE LEUCINE ZIPPER- AND STERILE ALPHA MOTIF-CONTAINING KINASE (ZAK) NOVARTIS AG (CH) 2010-09-10 WO disclosed
WO-2010007034-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF FIBROSIS NOVARTIS AG (CH) 2010-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140350037-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, PDGFRA DDR1 2/4885KDM4E 3565/4885ALDH1A1 1225/4885
US-20120015968-A1 USE OF PYRIMIDYLAMINOBENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE LEUCINE ZIPPER-AND STERILE ALPHA MOTIF-CONTAINING KINASE (ZAK) MELK, MINK1, ZFX DDR1 3377/4885KDM4E 2240/4885ALDH1A1 2961/4885
US-20120289528-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, PDGFRA DDR1 2/4885KDM4E 3784/4885ALDH1A1 987/4885
US-20120202836-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, PDGFRA DDR1 2/4885KDM4E 3836/4885ALDH1A1 1124/4885
US-20150313900-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, PDGFRB DDR1 2/4885KDM4E 1288/4885ALDH1A1 1027/4885
US-20130267549-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis AGTR1, AGTR2, ACE DDR1 1326/4885KDM4E 3135/4885ALDH1A1 140/4885
US-20110124670-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis AGTR1, AGTR2, ACE DDR1 1414/4885KDM4E 3167/4885ALDH1A1 147/4885
US-20170143716-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, ABL2 DDR1 2/4885KDM4E 3282/4885ALDH1A1 871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.