SCHEMBL12545447

SCHEMBL12545447

CC(C)C(=O)Nc1ncc(Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.66
CDK2 P24941 4/20 0.66
CDK5 Q00535 1/20 0.66
FFAR2 O15552 6/20 0.63
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.57
LIMK1 P53667 3/20 0.54
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.52
LIMK2 P53671 2/20 0.51
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCNB2 O95067 3/20 0.45
CCNE2 O96020 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
CDK4 P11802 2/20 0.45

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
SCHEMBL13156686 0.81 CCNE1 (0.68) CCNE1CDK2CDK5FFAR2MEN1
SCHEMBL966406 0.80 ALOX15 (0.53) CCNE1CDK2FFAR2MEN1KMT2A
SCHEMBL2463824 0.79 CDK2 (1.00) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL13390860 0.79 CCNE1 (0.66) CCNE1CDK2CDK5FFAR2MEN1
SCHEMBL16086080 0.78 ALOX15 (0.54) FFAR2MEN1KMT2APOLBMAPT
SCHEMBL20819347 0.78 CCNE1 (0.64) CCNE1CDK2CDK5FFAR2MEN1
SCHEMBL28089066 0.77 FFAR2 (0.50) CCNE1CDK2CDK5FFAR2MEN1
SCHEMBL19364715 0.77 MEN1 (0.63) CCNE1CDK2CDK5FFAR2MEN1
SCHEMBL27545748 0.77 ALOX15 (0.53) FFAR2MEN1KMT2APOLBMAPT
SCHEMBL6279225 0.76 FFAR2 (0.49) FFAR2ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CCNE1 2151/4885CDK2 3950/4885CDK5 2571/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CCNE1 2151/4885CDK2 3950/4885CDK5 2571/4885

“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.