SCHEMBL10010154

SCHEMBL10010154

Cc1cc(-n2nc(Nc3cccc(OC(F)(F)F)c3)cc2CC(=O)NC2CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ KDR P35968 7/20 0.42
▸ BRAF P15056 6/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GPR142 Q7Z601 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ GALR2 O43603 2/20 0.38
▸ GALR1 P47211 2/20 0.38

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
SCHEMBL10008365 0.97 MAPK1 (0.43) MAPK1KDRBRAFPDE4BPDE4D
SCHEMBL10009094 0.92 GALR2 (0.41) KDRBRAFPDE4BPDE4DCYP2D6
SCHEMBL10010866 0.90 MAPK1 (0.46) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL1506340 0.90 CYP2D6 (0.46) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL10009161 0.88 MAPK1 (0.50) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL1506231 0.88 MAPK1 (0.45) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL1506469 0.87 MAPK1 (0.46) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL1506242 0.84 MAPK1 (0.46) MAPK1KDRBRAFCYP2D6CYP2C9
SCHEMBL1506183 0.83 CDK2 (0.39) MAPK1KDRCYP2D6
Isophthalic Acid SCHEMBL27865014 0.82 MAPK1 (0.43) MAPK1BRAFCYP2D6CYP2C9KCNH2

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
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
CN-102574832-A Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2012-07-11 — — CN disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US 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 1404/4885KDR 1162/4885BRAF 3496/4885

“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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