SCHEMBL2399446

SCHEMBL2399446

COc1cc(F)ccc1-c1ccnc(NC(=O)Cc2ccnc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.53
CDK1 P06493 3/20 0.53
CDK2 P24941 3/20 0.53
CDK3 Q00526 3/20 0.53
CDK5 Q00535 3/20 0.53
GSK3B P49841 3/20 0.53
GSK3A P49840 3/20 0.53
CCNT1 O60563 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNE1 P24864 2/20 0.53
CCNA1 P78396 2/20 0.53
CDK5R1 Q15078 2/20 0.53
WNT3A P56704 3/20 0.48
MAPK14 Q16539 3/20 0.47
AAK1 Q2M2I8 1/20 0.47
KCNH2 Q12809 2/20 0.45
GRIN2B Q13224 2/20 0.45
RIOK2 Q9BVS4 3/20 0.44
CYP3A4 P08684 1/20 0.44
PRKACA P17612 1/20 0.44

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
SCHEMBL2383737 0.89 CDK9 (0.64) CDK9CDK1CDK2CDK3CDK5
SCHEMBL12293756 0.87 CDK9 (0.52) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2380679 0.87 WNT3A (0.57) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2382635 0.86 MAPK10 (0.61) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2381445 0.83 CDK9 (0.52) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2383682 0.83 CDK9 (0.63) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2383264 0.83 GSK3B (0.53) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2381093 0.80 WNT3A (0.57) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2383013 0.80 CDK1 (0.69) CDK9CDK1CDK2CDK3CDK5
SCHEMBL2381404 0.80 CDK9 (0.52) CDK9CDK1CDK2CDK3CDK5

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 15 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-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US claimed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US 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

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 CDK9 26/4885CDK1 1/4885CDK2 2/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CDK9 26/4885CDK1 1/4885CDK2 2/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 CDK9 26/4885CDK1 1/4885CDK2 2/4885

“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.