SCHEMBL1506177

SCHEMBL1506177

COc1cc(Cl)cc(Nc2cc(CC#N)n(-c3ccnc(C)c3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.34
▸ ERBB3 P21860 1/20 0.34
▸ PLA2G2A P14555 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31

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
SCHEMBL1506232 0.87 EGFR (0.35) EGFRERBB3IGF1RJAK2P2RX7
SCHEMBL1506107 0.86 GSK3B (0.42) JAK2JAK1MAPTCLK1CLK2
SCHEMBL1506191 0.85 EGFR (0.34) EGFRERBB3IGF1RJAK2P2RX7
SCHEMBL1506150 0.84 P2RX7 (0.37) EGFRERBB3MAPTKMT2AP2RX7
SCHEMBL1506194 0.83 RXRA (0.41) EGFRERBB3MAPTKMT2AP2RX7
SCHEMBL27981739 0.83 POLB (0.42) EGFRERBB3IGF1RJAK2MAPT
SCHEMBL10010193 0.82 P2RX7 (0.33) EGFRERBB3JAK2P2RX7MAPK1
SCHEMBL10009201 0.82 P2RX7 (0.33) EGFRERBB3JAK2P2RX7MAPK1
SCHEMBL1506184 0.82 P2RX7 (0.38) EGFRPTGS2P2RX7MAPK1SMN1; SMN2
SCHEMBL27981728 0.82 P2RX7 (0.33) EGFRERBB3JAK2P2RX7MAPK1

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 EGFR 966/4885ERBB3 740/4885PLA2G2A 1069/4885

“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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