SCHEMBL409737

SCHEMBL409737

COC(=O)c1c[nH]c(C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.57
BAZ2A Q9UIF9 1/20 0.57
ALDH1A1 P00352 6/20 0.57
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
XDH P47989 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL70354 0.88 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL4544324 0.85 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL27483961 0.81 SMYD3 (0.51) BAZ2BBAZ2AALDH1A1GAATDP1
SCHEMBL409717 0.80 BAZ2B (0.49) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL16622895 0.79 BAZ2B (0.64) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL11898897 0.78 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL77311 0.78 NOTUM (0.59) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL10936334 0.78 ALDH1A1 (0.57) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL1664710 0.77 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL2661552 0.77 ALDH1A1 (0.69) BAZ2BBAZ2AALDH1A1LMNAGAA

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-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-15 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-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS PHKG1, PPM1A, PRKAG1 BAZ2B 1254/4885BAZ2A 995/4885ALDH1A1 3493/4885

“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.