SCHEMBL10189735

SCHEMBL10189735

COc1cc(-c2nn[nH]c2-c2ccnnc2)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
STING1 Q86WV6 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
SMPD3 Q9NY59 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
SCHEMBL10189708 0.86 S1PR1 (0.37) S1PR1ALDH1A1
SCHEMBL412284 0.86 KDM4E (0.41) ALDH1A1
SCHEMBL10189738 0.84 MAPK1 (0.45) S1PR1ALDH1A1
SCHEMBL10189705 0.84 S1PR1 (0.38) S1PR1CCNB2CDK1CCNB1GSK3A
SCHEMBL10189731 0.82 PDGFRB (0.42)
SCHEMBL10189699 0.81 ALDH1A1 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189737 0.81 CHEK1 (0.38)
SCHEMBL10189728 0.81 SMPD3 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189702 0.80 CHEK1 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189703 0.80 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 S1PR1 405/4885CYP1A1 4018/4885CYP1B1 2370/4885

“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.