SCHEMBL3781298

SCHEMBL3781298

Nc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 0.79
CDK1 P06493 11/20 0.79
CCNB1 P14635 11/20 0.79
CCNB3 Q8WWL7 11/20 0.79
RET P07949 14/20 0.71
PDPK1 O15530 1/20 0.66
CCNT1 O60563 1/20 0.66
CCNA2 P20248 1/20 0.66
CDK2 P24941 1/20 0.66
CDK9 P50750 1/20 0.66
CCNA1 P78396 1/20 0.66
CDK5 Q00535 1/20 0.66
CDK5R1 Q15078 1/20 0.66

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
SCHEMBL2544992 0.88 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13007924 0.88 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3247310 0.88 CDK1 (0.79) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3773731 0.88 CDK1 (0.79) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13991592 0.84 CDK1 (0.74) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3776459 0.84 CDK1 (0.77) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3252733 0.84 CCNB2 (0.74) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3770552 0.84 CDK1 (0.77) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13357503 0.83 RET (0.84) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3769950 0.82 CDK1 (0.73) CCNB2CDK1CCNB1CCNB3RET

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 CCNB2 358/4885CDK1 71/4885CCNB1 441/4885

“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.