SCHEMBL347002

SCHEMBL347002

CN(C)[C@H]1CCN(Cc2[c]cccc2C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
DDR1 Q08345 9/20 0.37
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HDAC1 Q13547 1/20 0.34

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 0.79 KDM4E (0.55) DDR1KDM4EALDH1A1MAPT
SCHEMBL27083200 0.76 ALDH1A1 (0.55) KDM4EALDH1A1MAPT
SCHEMBL347003 0.75 DDR1 (0.42) LTA4HDDR1KDM1AKDM4EALDH1A1
SCHEMBL4282318 0.73 CYP2A13 (0.42) KDM4EALDH1A1HRH3
Formic Acid SCHEMBL28291907 0.73 KDM4E (0.54) DDR1KDM4EALDH1A1MAPT
SCHEMBL15381987 0.71 DDR1 (0.49) DDR1KDM1A
SCHEMBL15687979 0.70 NR1H2 (0.61) DDR1
SCHEMBL589421 0.70 NR1H2 (0.61) DDR1
SCHEMBL589420 0.70 NR1H2 (0.61) DDR1
SCHEMBL274217 0.70 NR1H2 (0.48) DDR1KDM4EALDH1A1MAPTNOS3

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 34 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 LTA4H 3966/4885DDR1 2/4885KDM1A 1684/4885
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 LTA4H 1938/4885DDR1 3377/4885KDM1A 1742/4885
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 LTA4H 4493/4885DDR1 2/4885KDM1A 1733/4885
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 LTA4H 4224/4885DDR1 2/4885KDM1A 2062/4885
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 LTA4H 3818/4885DDR1 2/4885KDM1A 1046/4885
US-20130267549-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis AGTR1, AGTR2, ACE LTA4H 558/4885DDR1 1326/4885KDM1A 2805/4885
US-20110124670-A1 Use of Pyrimidylaminobenzamide Derivatives for the Treatment of Fibrosis AGTR1, AGTR2, ACE LTA4H 507/4885DDR1 1414/4885KDM1A 2877/4885
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 LTA4H 3869/4885DDR1 2/4885KDM1A 1219/4885

“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.