SCHEMBL12378850

SCHEMBL12378850

C[C@@H](CO)NC(=O)c1cccc2cnc(NC3CCCCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPK10 P53779 6/20 0.42
JUN P05412 2/20 0.42
ACACB O00763 5/20 0.41
MAPK8 P45983 5/20 0.41
MAPK9 P45984 4/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL2257899 0.91 MAPK10 (0.52) MAPK1MAPK10JUNMAPK8MAPK9
SCHEMBL2260353 0.91 MAPK10 (0.52) MAPK1MAPK10JUNMAPK8MAPK9
SCHEMBL558714 0.91 MAPK10 (0.52) MAPK1MAPK10JUNMAPK8MAPK9
SCHEMBL559551 0.91 MAPK10 (0.52) MAPK1MAPK10JUNMAPK8MAPK9
SCHEMBL559470 0.89 MAPK10 (0.43) CCNA2CDK2CCNA1MAPK1MAPK10
SCHEMBL559469 0.89 MAPK10 (0.43) CCNA2CDK2CCNA1MAPK1MAPK10
SCHEMBL559014 0.88 MAPK8 (0.41) CCNA2CDK2CCNA1MAPK1MAPK10
SCHEMBL559013 0.88 MAPK8 (0.41) CCNA2CDK2CCNA1MAPK1MAPK10
SCHEMBL2258887 0.82 MAPK10 (0.55) MAPK10JUNMAPK8MAPK9
SCHEMBL558585 0.82 MAPK10 (0.55) MAPK10JUNMAPK8MAPK9

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-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 (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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CCNA2 629/4885CDK2 125/4885CCNA1 369/4885

“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.