SCHEMBL2986102

SCHEMBL2986102

COc1ccccc1-c1cc(C)nc(Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.68
HSP90AB1 P08238 3/20 0.57
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
CRHR1 P34998 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SQOR Q9Y6N5 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TSHR P16473 1/20 0.45
METAP2 P50579 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21058542 0.85 HSP90AA1 (0.72) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL3942054 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL28351894 0.79 KDM4E (0.64) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL20361584 0.77 HRH4 (0.45) HSP90AA1HSP90AB1ALDH1A1KDM4EL3MBTL1
SCHEMBL31505996 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL2983938 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL12408679 0.74 MEN1 (0.70) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL17608860 0.74 ALDH1A1 (0.62) HSP90AA1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11405229 0.74 ALDH1A1 (0.52) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL19537477 0.74 HSP90AA1 (0.58) HSP90AA1ALDH1A1GAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011576-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20150011576-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20150011576-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-8841315-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2014-09-23 US disclosed
US-8841315-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2014-09-23 US disclosed
US-8841315-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2014-09-23 US disclosed
US-20130331407-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-12 US disclosed
US-8507511-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8507511-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8507511-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137165-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-04-24 EP disclosed
US-20100168144-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168144-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168144-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-01 US disclosed
EP-2137165-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129071-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
WO-2008129071-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US disclosed
EP-0994860-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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 (3 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-20130331407-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK5 HSP90AA1 666/4885HSP90AB1 660/4885ALDH1A1 4213/4885
US-20150011576-A1 Inhibitors of Protein Kinases CDK1, CDK2, CDK5 HSP90AA1 666/4885HSP90AB1 660/4885ALDH1A1 4213/4885
US-20100168144-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CCNI HSP90AA1 676/4885HSP90AB1 657/4885ALDH1A1 3855/4885

“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.