SCHEMBL3769950

SCHEMBL3769950

CCOc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.73
CCNB1 P14635 11/20 0.73
CCNB2 O95067 10/20 0.73
CCNB3 Q8WWL7 10/20 0.73
RET P07949 13/20 0.68
CDK2 P24941 2/20 0.59
CCNT1 O60563 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK9 P50750 1/20 0.59
CCNE1 P24864 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL3776459 0.89 CDK1 (0.77) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3764791 0.87 CDK1 (0.68) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13007924 0.85 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3250780 0.83 CDK1 (0.69) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL2544992 0.83 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL2987315 0.83 RET (0.78) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3773731 0.82 CDK1 (0.79) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3247310 0.82 CDK1 (0.79) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3781298 0.82 CCNB2 (0.79) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3770552 0.82 CDK1 (0.77) CDK1CCNB1CCNB2CCNB3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 CDK1 71/4885CCNB1 441/4885CCNB2 358/4885

“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.