SCHEMBL10189754

SCHEMBL10189754

COc1cc(-c2nn[nH]c2-c2ccc(-c3nnn[nH]3)cc2)cc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.34
GUSB P08236 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NOX1 Q9Y5S8 2/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL411109 0.86 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL10189699 0.85 ALDH1A1 (0.35) SMPD3ALDH1A1NOX1CCNB2CDK1
SCHEMBL10189728 0.85 SMPD3 (0.41) SMPD3ALDH1A1CCNB2CDK1CCNB1
SCHEMBL10189702 0.84 CHEK1 (0.38) ALDH1A1CCNB2CDK1CCNB1GSK3A
SCHEMBL10189703 0.84 SMPD3 (0.41) SMPD3ALDH1A1CCNB2CDK1CCNB1
SCHEMBL10189705 0.83 S1PR1 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189708 0.83 S1PR1 (0.37) ALDH1A1HSD17B10
SCHEMBL10189749 0.82 TEK (0.34) SMPD3ALDH1A1CCNB2CDK1CCNB1
SCHEMBL10189723 0.82 FYN (0.39) SMPD3ALDH1A1
SCHEMBL10189725 0.82 TP53 (0.34) SMPD3ALDH1A1KDM4EHSD17B10

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 SMPD3 2411/4885GUSB 1499/4885ALDH1A1 1872/4885

“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.