SCHEMBL1506242

SCHEMBL1506242

Cc1cc(-n2nc(Nc3cccc(OC(F)(F)F)c3)cc2CO)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GPR142 Q7Z601 1/20 0.44
▸ IGF1R P08069 2/20 0.43
▸ NPY5R Q15761 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ BRAF P15056 3/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ GALR2 O43603 1/20 0.40
▸ GALR1 P47211 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL10009879 0.89 MAPK1 (0.45) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL27981727 0.89 MAPK1 (0.45) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL1506469 0.88 MAPK1 (0.46) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL1506248 0.88 MAPK1 (0.44) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL10010866 0.87 MAPK1 (0.46) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL1506231 0.86 MAPK1 (0.45) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL10009161 0.86 MAPK1 (0.50) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL10011182 0.85 MAPK1 (0.41) MAPK1CYP2D6CYP2C9KCNH2GPR142
SCHEMBL1506314 0.85 THRB (0.52) CYP2D6CYP2C9KCNH2GPR142CDK2
SCHEMBL10010154 0.84 MAPK1 (0.44) MAPK1CYP2D6CYP2C9KCNH2GPR142

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-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
EP-2491024-B1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 — — EP disclosed
EP-2491024-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES Janssen Pharmaceutica N.V. (BE) 2012-08-29 — — EP disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US disclosed
WO-2011033018-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2011-03-24 — — 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-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines CHRM1, CHRNA1, CHRM3 MAPK1 1404/4885CYP2D6 1495/4885CYP2C9 1221/4885

“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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