SCHEMBL2987315

SCHEMBL2987315

CCCCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.78
CCNB2 O95067 10/20 0.71
CDK1 P06493 10/20 0.71
CCNB1 P14635 10/20 0.71
CCNB3 Q8WWL7 10/20 0.71
CCNT1 O60563 2/20 0.61
CCNA2 P20248 2/20 0.61
CDK2 P24941 2/20 0.61
CDK9 P50750 2/20 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
SCHEMBL13007942 0.88 RET (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007941 0.87 RET (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3771028 0.87 RET (0.77) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007940 0.87 RET (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007936 0.86 RET (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007924 0.83 CDK1 (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3769950 0.83 CDK1 (0.73) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL3778518 0.82 RET (1.00) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13008009 0.82 RET (0.69) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL13007931 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US claimed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US 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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 RET 418/4885CCNB2 24/4885CDK1 6/4885

“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.