SCHEMBL560325

SCHEMBL560325

CNC(=O)c1ccc2cnc(NC3CCC(O)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
MNAT1 P51948 2/20 0.55
CCNE1 P24864 6/20 0.52
CDK2 P24941 6/20 0.52
MAPK8 P45983 3/20 0.48
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
SYK P43405 1/20 0.46
MAPK1 P28482 6/20 0.46
RIPK2 O43353 1/20 0.45
CSNK2A1 P68400 1/20 0.45
BRAF P15056 1/20 0.44

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
SCHEMBL560324 1.00 CDK7 (0.55) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL559092 0.89 HPGDS (0.51) CCNE1CDK2MAPK8MAPK10MAPK9
SCHEMBL2263303 0.89 HPGDS (0.51) CCNE1CDK2MAPK8MAPK10MAPK9
SCHEMBL560199 0.88 CCNE1 (0.52) CCNE1CDK2MAPK8MAPK10MAPK9
SCHEMBL2256344 0.88 CCNE1 (0.52) CCNE1CDK2MAPK8MAPK10MAPK9
SCHEMBL558518 0.87 CSNK2A1 (0.58) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL558517 0.87 CSNK2A1 (0.58) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL558911 0.86 CDK2 (0.52) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL558912 0.86 CDK2 (0.52) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL10207543 0.86 CDK7 (0.54) CDK7CCNHMNAT1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885

“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.