SCHEMBL4891703

SCHEMBL4891703

O=C1NC(SCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.50
KMT2A Q03164 1/20 0.45
HASPIN Q8TF76 4/20 0.43
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MET P08581 2/20 0.43
ADORA2A P29274 1/20 0.41
CDC7 O00311 3/20 0.40
GPR18 Q14330 2/20 0.40
DBF4 Q9UBU7 1/20 0.39
GSK3B P49841 1/20 0.38
CHEK2 O96017 1/20 0.37
CDK1 P06493 1/20 0.37
SRC P12931 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL4891698 1.00 CHEK1 (0.50) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL1714325 0.84 GPR18 (0.45) CHEK1KMT2AKDM4ECDC7GPR18
SCHEMBL1714322 0.84 GPR18 (0.45) CHEK1KMT2AKDM4ECDC7GPR18
SCHEMBL5100901 0.83 CHEK1 (0.52) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5100892 0.83 CHEK1 (0.52) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL1714178 0.82 CHEK1 (0.51) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL1714182 0.82 CHEK1 (0.51) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5093010 0.80 CHEK1 (0.49) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5093023 0.80 CHEK1 (0.49) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5094570 0.79 CHEK1 (0.55) CHEK1KMT2AHASPINCCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 US claimed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 US claimed
EP-1960399-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Pfizer Italia S.r.l. (IT) 2008-08-27 EP disclosed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 US disclosed
WO-2007054508-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-05-18 WO disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 CHEK1 251/4885KMT2A 1112/4885HASPIN 1268/4885

“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.