SCHEMBL1506343

SCHEMBL1506343

Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CC#N)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RIPK1 Q13546 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ KCNN3 Q9UGI6 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL1506265 0.90 IDO1 (0.40) KDM4ETSHRHSD17B10RIPK1IDO1
SCHEMBL1506292 0.86 RIPK1 (0.39) RIPK1MEN1KMT2AATMIDO1
SCHEMBL1506203 0.81 RIPK1 (0.44) RIPK1P2RX3EGFR
SCHEMBL10009458 0.81 RIPK1 (0.43) RIPK1P2RX3EGFR
SCHEMBL1506153 0.80 RIPK1 (0.39) RIPK1
SCHEMBL10011414 0.78 KMT2A (0.40) RIPK1ALDH1A1KMT2AEGFRMAPK14
SCHEMBL1506045 0.77 CYP1A2 (0.40) KDM4ETSHRHSD17B10RIPK1ALDH1A1
SCHEMBL1506079 0.76 IDO1 (0.41) RIPK1IDO1EGFR
SCHEMBL1506211 0.74 IDO1 (0.40) RIPK1IDO1EGFR
SCHEMBL1506166 0.73 IGF1R (0.41) P2RX3

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 KDM4E 1364/4885TSHR 82/4885HSD17B10 4472/4885

“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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