SCHEMBL12715565

SCHEMBL12715565

CC(C)Nc1ncc(C(=O)/C=C/c2ccccc2Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.54
▸ MAPT P10636 8/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL12715555 0.82 MAPK14 (0.55) MAPK14MAPTKMT2AALDH1A1LMNA
SCHEMBL12715951 0.79 SMN1; SMN2 (0.46) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL13485175 0.77 NPC1 (0.51) MAPK14MAPTKMT2AALDH1A1LMNA
SCHEMBL12715554 0.74 ALDH1A1 (0.53) MAPK14MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12715552 0.69 RAB9A (0.54) MAPK14ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4253010 0.69 HCAR2 (0.52) MAPK14MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3328640 0.69 MAPT (0.54) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL3328645 0.69 MAPT (0.54) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL12715418 0.69 RAB9A (0.59) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL14213429 0.69 MAPK14 (0.61) MAPK14ALDH1A1HPGDSMN1; SMN2HTT

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 MAPK14 83/4885MAPT 2324/4885KMT2A 3167/4885

“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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