SCHEMBL14320628

SCHEMBL14320628

COc1ccc(N)cc1N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 5/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NR4A1 P22736 2/20 0.54
THRB P10828 2/20 0.54
PTK2B Q14289 1/20 0.54
POLB P06746 1/20 0.51
APOBEC3G Q9HC16 1/20 0.49
ALDH1A3 P47895 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
GFER P55789 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL5701472 0.98 ALDH1A1 (0.57) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL1397389 0.86 DRD2 (0.60) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL1930522 0.86 ALDH1A1 (0.59) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL29833266 0.85 MAPT (0.57) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL6343779 0.85 KDM4E (0.59) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL519902 0.85 MAPT (0.57) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL6345252 0.85 KDM4E (0.59) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL2779635 0.85 HTR3E (0.68) MAPTALDH1A1KDM4ELMNAHTR3E
SCHEMBL6979317 0.85 MAPT (0.54) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL3166854 0.84 ALDH1A1 (0.59) MAPTALDH1A1KDM4ELMNAGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014118092-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-PHENYLENEDIAMINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 MAPT 1730/4885ALDH1A1 734/4885KDM4E 1974/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885ALDH1A1 4333/4885KDM4E 1662/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885ALDH1A1 3674/4885KDM4E 1409/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885ALDH1A1 4333/4885KDM4E 1662/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK MAPT 470/4885ALDH1A1 4333/4885KDM4E 1662/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 MAPT 634/4885ALDH1A1 4394/4885KDM4E 1843/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885ALDH1A1 4184/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885ALDH1A1 4184/4885KDM4E 1645/4885

“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.