SCHEMBL3765467

SCHEMBL3765467

COc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.74
CCNB2 O95067 13/20 0.72
CDK1 P06493 13/20 0.72
CCNB1 P14635 13/20 0.72
CCNB3 Q8WWL7 13/20 0.72
FLT3 P36888 1/20 0.63
MKNK1 Q9BUB5 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
CCNT1 O60563 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CDK9 P50750 1/20 0.61

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
SCHEMBL3764784 0.87 RET (0.80) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3770641 0.87 RET (0.67) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3769672 0.86 RET (0.75) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3769910 0.85 RET (0.77) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3769243 0.85 RET (0.77) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3776459 0.85 CDK1 (0.77) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3246779 0.84 CDK1 (0.74) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3252006 0.84 RET (0.77) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3769898 0.84 CCNB2 (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007958 0.81 RET (1.00) RETCCNB2CDK1CCNB1CCNB3

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 RET 304/4885CCNB2 358/4885CDK1 71/4885

“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.