SCHEMBL10189709

SCHEMBL10189709

COc1cc(-c2nn[nH]c2-c2ccc3ccncc3c2)cc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
PRKCZ Q05513 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL412023 0.88 GAK (0.45) PDGFRBGAKMAOA
SCHEMBL10189705 0.84 S1PR1 (0.38) PIK3CACCNB2CDK1CCNB1GSK3A
SCHEMBL10189708 0.84 S1PR1 (0.37) PDGFRBPDGFRAALDH1A1S1PR1
SCHEMBL10189738 0.82 MAPK1 (0.45) CYP11B2CYP11B1PDGFRBPDGFRAKDM4E
SCHEMBL10189704 0.81 MAPK1 (0.43) CYP11B2CYP11B1GSK3AGSK3BCDK5
SCHEMBL10189707 0.80 PDGFRB (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189700 0.79 ALDH1A1 (0.40) PDGFRBPDGFRAKDM4EALDH1A1CYP17A1
SCHEMBL10189737 0.79 CHEK1 (0.38)
SCHEMBL10189699 0.79 ALDH1A1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189728 0.79 SMPD3 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B

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 CYP11B2 1054/4885CYP11B1 904/4885PRKCZ 2064/4885

“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.