SCHEMBL3879833

SCHEMBL3879833

CSc1nc(NCCO)cc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
LMNA P02545 2/20 0.47
PTGDR Q13258 3/20 0.46
FYN P06241 1/20 0.44
CTSK P43235 5/20 0.43
KCNH2 Q12809 4/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.41
ADORA2A P29274 1/20 0.41
RAF1 P04049 3/20 0.41
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
SYK P43405 1/20 0.39
BRAF P15056 1/20 0.39
VCP P55072 1/20 0.39

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
SCHEMBL3882513 0.80 SDHB (0.48) LMNAPTGDRFYNCTSKKCNH2
SCHEMBL3873556 0.80 CTSK (0.65) CTSKKCNH2CTSSCTSLCTSB
SCHEMBL4453870 0.79 CTSK (0.65) MAPK14LMNACTSKKCNH2CTSS
SCHEMBL3874359 0.78 LMNA (0.54) MAPK14LMNACTSKKCNH2CTSS
SCHEMBL5593071 0.78 LMNA (0.56) LMNACTSKTP53MAPTTHRB
SCHEMBL3557728 0.76 LMNA (0.55) LMNACTSKTP53CTSS
SCHEMBL3874666 0.75 LMNA (0.54) MAPK14LMNACTSKKCNH2THRB
SCHEMBL1357676 0.75 LMNA (0.54) LMNACTSKADORA2ACTSS
SCHEMBL4084091 0.74 CDK2 (0.43) MAPK14LMNAPTGDRTP53MAPT
SCHEMBL11467792 0.71 LMNA (0.58) MAPK14LMNACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 WO disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 WO 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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF MAPK14 444/4885LMNA 2979/4885PTGDR 2025/4885

“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.