SCHEMBL10189753

SCHEMBL10189753

Cc1cc(-c2nn[nH]c2-c2ccc(O)cc2)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
CDK1 P06493 2/20 0.41
CDK5 Q00535 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TNIK Q9UKE5 4/20 0.40
MAPK1 P28482 2/20 0.38
MAP2K4 P45985 2/20 0.38
MAPKAPK2 P49137 2/20 0.38
MAPK6 Q16659 2/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
RPS6KA3 P51812 4/20 0.37
PDPK1 O15530 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FGFR1 P11362 2/20 0.35
DYRK1A Q13627 2/20 0.35

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
SCHEMBL411907 0.82 GSK3A (0.43) GSK3BGSK3ACDK1CDK5CCNB2
SCHEMBL411503 0.81 RPS6KA3 (0.39) GSK3BCDK5CDK5R1RPS6KA3PDPK1
SCHEMBL10189779 0.79 MAPK1 (0.34) TNIKMAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL13041108 0.77 KDR (0.52) MAPK1CDK2KDRMEN1MAPT
SCHEMBL13078074 0.77 HSD17B1 (0.39) GSK3BGSK3ACDK1CDK5CCNB2
SCHEMBL10189713 0.75 MAPT (0.42) MAPK1MAP2K4MEN1NPC1MAPT
SCHEMBL10189699 0.75 ALDH1A1 (0.35) GSK3BGSK3ACDK1CDK5CCNB2
SCHEMBL10189728 0.75 SMPD3 (0.41) GSK3BGSK3ACDK1CDK5CCNB2
SCHEMBL10189720 0.74 TUBB1 (0.44) MAPK1CDK2KDRMEN1MAPT
SCHEMBL10189751 0.74 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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 (1 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 GSK3B 239/4885GSK3A 416/4885CDK1 13/4885

“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.