SCHEMBL2383264

SCHEMBL2383264

COc1cc(F)ccc1-c1ccnc(NC(=O)Cc2ccnc(N3CCN(C)CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.53
WNT1 P04628 2/20 0.53
DYRK1A Q13627 2/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
CDK9 P50750 6/20 0.50
WNT3A P56704 5/20 0.50
CDK1 P06493 3/20 0.50
CDK2 P24941 3/20 0.50
CDK3 Q00526 3/20 0.50
CDK5 Q00535 3/20 0.50
CCNT1 O60563 3/20 0.50
GSK3A P49840 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNE1 P24864 2/20 0.50
CCNA1 P78396 2/20 0.50
CDK5R1 Q15078 2/20 0.50
MAPK14 Q16539 2/20 0.43
CACNA1H O95180 2/20 0.43
CASP3 P42574 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
SCHEMBL2381093 0.89 WNT3A (0.57) GSK3BDYRK1ACDK9WNT3ACDK1
SCHEMBL2383737 0.83 CDK9 (0.64) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL2399446 0.83 CDK9 (0.53) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL12293756 0.82 CDK9 (0.52) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL2380679 0.81 WNT3A (0.57) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL17105743 0.81 WNT3A (0.48) GSK3BDYRK1ACDK9WNT3ACDK1
SCHEMBL2382635 0.81 MAPK10 (0.61) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL2382475 0.79 CDK9 (0.48) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL2381445 0.78 CDK9 (0.52) GSK3BCDK9WNT3ACDK1CDK2
SCHEMBL2383682 0.78 CDK9 (0.63) GSK3BCDK9CDK1CDK2CDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US claimed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US claimed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US claimed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP claimed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US claimed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO claimed
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-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
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

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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 GSK3B 25/4885WNT1 753/4885DYRK1A 494/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 GSK3B 25/4885WNT1 753/4885DYRK1A 494/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 GSK3B 25/4885WNT1 753/4885DYRK1A 494/4885

“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.