SCHEMBL3774014

SCHEMBL3774014

Clc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 1.00
CCNB2 O95067 13/20 0.78
CDK1 P06493 13/20 0.78
CCNB1 P14635 13/20 0.78
CCNB3 Q8WWL7 13/20 0.78
PIK3CA P42336 2/20 0.65
PIK3CB P42338 2/20 0.65
PIK3CG P48736 2/20 0.65
DYRK1A Q13627 1/20 0.56

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
SCHEMBL3779637 0.87 CCNB2 (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3247310 0.85 CDK1 (0.79) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007968 0.85 RET (0.79) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3251717 0.84 CDK1 (0.76) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007966 0.83 RET (0.74) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007965 0.82 RET (0.82) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3764784 0.80 RET (0.80) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007971 0.79 RET (0.83) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13008028 0.79 RET (0.64) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3775633 0.79 CCNB2 (0.83) 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.