SCHEMBL2745972

SCHEMBL2745972

O=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(C[C@@H](O)CO)c5)cc43)ccc2n1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.36
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
KDR P35968 2/20 0.36
JAK1 P23458 1/20 0.35
TTK P33981 1/20 0.35
RIPK1 Q13546 1/20 0.35
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
ABL1 P00519 1/20 0.34
TDO2 P48775 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
SCHEMBL2746459 1.00 CDK9 (0.36) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL2745977 1.00 CDK9 (0.36) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL2747669 0.90 CSNK1D (0.39) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL10274940 0.88 PIK3CA (0.40) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL253785 0.86 GSK3B (0.47) CSNK1DCSNK1EKDRWNT1GSK3B
SCHEMBL5955411 0.85 GSK3B (0.41) CDK9CSNK1DCSNK1EKDRRIPK1
SCHEMBL5955085 0.85 CCNC (0.39) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL5955181 0.84 KDR (0.39) CDK9CSNK1DCSNK1EKDRRIPK1
SCHEMBL5955082 0.84 CDK9 (0.39) CDK9CSNK1DCSNK1EKDRJAK1
SCHEMBL2746330 0.83 CSNK1D (0.45) CDK9CSNK1DCSNK1EKDRRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT CDK9 201/4885CSNK1D 225/4885CSNK1E 119/4885

“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.