SCHEMBL2370541

SCHEMBL2370541

COc1cc(F)ccc1-c1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.49
RORB Q92753 2/20 0.47
RORC P51449 1/20 0.47
CDK9 P50750 8/20 0.46
CCNT1 O60563 6/20 0.46
CDK1 P06493 4/20 0.46
CDK2 P24941 4/20 0.46
CDK3 Q00526 3/20 0.46
CDK5 Q00535 3/20 0.46
GSK3B P49841 3/20 0.46
GSK3A P49840 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNE1 P24864 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CASP3 P42574 3/20 0.46
CASP7 P55210 3/20 0.46
CDK7 P50613 1/20 0.46
SYK P43405 1/20 0.45
PSEN1 P49768 1/20 0.45

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
SCHEMBL2370570 0.88 RORB (0.47) RORBRORCCDK9CCNT1SYK
SCHEMBL12268828 0.83 RORB (0.56) AAK1RORBRORC
SCHEMBL2182541 0.82 AAK1 (0.52) AAK1RORBRORCSYK
SCHEMBL30507450 0.82 DYRK1A (0.53) AAK1CDK9CCNT1CDK1CDK2
SCHEMBL2371385 0.82 DYRK1A (0.53) AAK1CDK9CCNT1CDK1CDK2
SCHEMBL14562480 0.80 AAK1 (0.46) AAK1RORBRORCCDK9CCNT1
SCHEMBL11425087 0.79 CYP11B1 (0.55) CDK2GSK3BSYKKCNH2GRIN2B
SCHEMBL30224316 0.79 KMO (0.42) GRM5
SCHEMBL3273312 0.79 KMO (0.42) GRM5
SCHEMBL2399446 0.78 CDK9 (0.53) AAK1CDK9CCNT1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
EP-2681193-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-01-06 EP disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives LEAD DISCOVERY CENTER GMBH (DE) 2014-10-02 US disclosed
EP-2681193-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 EP disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
WO-2012117059-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED PYRIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 WO disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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 (4 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 AAK1 136/4885RORB 1161/4885RORC 1950/4885
US-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives PINK1, PDPK1, LCK AAK1 579/4885RORB 1121/4885RORC 779/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 AAK1 136/4885RORB 1161/4885RORC 1950/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 AAK1 136/4885RORB 1161/4885RORC 1950/4885

“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.