SCHEMBL1506469

SCHEMBL1506469

COC(=O)Cc1cc(Nc2cccc(OC(F)(F)F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ NPY5R Q15761 1/20 0.43
▸ IGF1R P08069 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GPR142 Q7Z601 1/20 0.41
▸ BRAF P15056 4/20 0.41
▸ KDR P35968 4/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ GALR1 P47211 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC5A1 P13866 1/20 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
SCHEMBL1506088 0.91 GALR2 (0.42) MAPK1NPY5RIGF1RBRAFGALR2
SCHEMBL10010866 0.90 MAPK1 (0.46) MAPK1NPY5RIGF1RCYP2D6CYP2C9
SCHEMBL10009161 0.89 MAPK1 (0.50) MAPK1NPY5RIGF1RCYP2D6CYP2C9
SCHEMBL1506231 0.89 MAPK1 (0.45) MAPK1NPY5RIGF1RCYP2D6CYP2C9
SCHEMBL1506242 0.88 MAPK1 (0.46) MAPK1NPY5RIGF1RCYP2D6CYP2C9
SCHEMBL1506291 0.87 THRB (0.47) MAPK1SYKL3MBTL1
SCHEMBL10010154 0.87 MAPK1 (0.44) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10008365 0.86 MAPK1 (0.43) MAPK1NPY5RCYP2D6CYP2C9KCNH2
Isophthalic Acid SCHEMBL27865014 0.86 MAPK1 (0.43) MAPK1NPY5RIGF1RCYP2D6CYP2C9
SCHEMBL1506340 0.85 CYP2D6 (0.46) MAPK1NPY5RCYP2D6CYP2C9KCNH2

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 1404/4885NPY5R 279/4885IGF1R 602/4885

“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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