SCHEMBL12715554

SCHEMBL12715554

CC(C)Nc1ncc(C(=O)/C=C/N(C)C)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPT P10636 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK14 Q16539 7/20 0.44
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LCK P06239 2/20 0.37
▸ RECQL P46063 1/20 0.36

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
SCHEMBL12715401 0.84 NPC1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12715515 0.80 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12715552 0.76 RAB9A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL4253010 0.76 HCAR2 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17204793 0.75 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17204794 0.75 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17248050 0.74 MAPK14 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19710761 0.74 MAPK14 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12715565 0.74 MAPK14 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20451998 0.72 RAB9A (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 — — US disclosed
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 — — US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 — — US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 — — US disclosed
EP-1848714-B1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 — — EP 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-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS LIMK1, LIMK2, MAPK1 ALDH1A1 3873/4885MAPT 2324/4885NPC1 3735/4885

“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.

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