SCHEMBL1506045

SCHEMBL1506045

Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CC(=O)NCC2CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CHRM1 P11229 1/20 0.38
▸ RIPK1 Q13546 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35
▸ ERBB2 P04626 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LYN P07948 1/20 0.34

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
SCHEMBL1506129 0.92 P2RX7 (0.42) CYP1A2CYP2C9CNR2RIPK1TRPV1
SCHEMBL10011414 0.90 KMT2A (0.40) RIPK1ERBB2ALDH1A1HDAC3HDAC1
SCHEMBL1506153 0.89 RIPK1 (0.39) RIPK1TRPV1ERBB2HDAC3HDAC1
SCHEMBL1506203 0.84 RIPK1 (0.44) RIPK1NPC1HPGDHDAC3HDAC1
SCHEMBL1506292 0.81 RIPK1 (0.39) RIPK1HDAC3HDAC1HDAC6CD38
SCHEMBL10010359 0.81 P2RX7 (0.40) RIPK1ERBB2ALDH1A1GAKRIPK2
SCHEMBL1506082 0.81 P2RX7 (0.45) RIPK1TRPV1ERBB2HDAC3HDAC1
SCHEMBL10008796 0.80 MAPK1 (0.39) RIPK1ERBB2ALDH1A1GAKRIPK2
SCHEMBL1506304 0.79 P2RX7 (0.42) RIPK1TRPV1ERBB2HDAC3HDAC1
SCHEMBL1506116 0.78 CYP3A4 (0.45) CYP2C9CNR2

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 CYP1A2 869/4885CYP2C9 1221/4885CNR2 64/4885

“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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