SCHEMBL1506116

SCHEMBL1506116

Cc1cc(-n2nc(Nc3cccc(OC(F)(F)F)c3)cc2CC(=O)NCC2CC2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ CHRM4 P08173 1/20 0.41
▸ PIM1 P11309 5/20 0.40
▸ GLS O94925 2/20 0.40
▸ GALR2 O43603 2/20 0.40
▸ GALR1 P47211 2/20 0.40
▸ BRAF P15056 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ KLKB1 P03952 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
SCHEMBL1506340 0.92 CYP2D6 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL10009094 0.89 GALR2 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL1505762 0.89 GALR2 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL1505927 0.87 SYK (0.42) PIM1GALR2GALR1BRAFNPY5R
SCHEMBL1506125 0.86 MAPK1 (0.42) PIM1GALR2GALR1BRAFNPY5R
SCHEMBL1506088 0.85 GALR2 (0.42) PIM1GALR2GALR1BRAFNPY5R
SCHEMBL10010154 0.81 MAPK1 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL1506231 0.81 MAPK1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL10008365 0.80 MAPK1 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL1506069 0.80 CNR2 (0.44) CYP3A4CYP2D6CYP2C9CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574832-B Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN disclosed
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 CYP3A4 701/4885CYP2D6 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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