SCHEMBL1506194

SCHEMBL1506194

COc1cc(Cl)cc(Nc2cc(CCC(=O)O)n(-c3ccnc(C)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 3/20 0.41
▸ RXRG P48443 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ ERBB3 P21860 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL10008929 0.90 ALOX5 (0.36) RXRARXRBRXRGEGFRERBB3
SCHEMBL1506150 0.88 P2RX7 (0.37) ALDH1A1MEN1KMT2AEGFRERBB3
SCHEMBL1506232 0.88 EGFR (0.35) LMNAEGFRERBB3P2RX7MAPK1
SCHEMBL1506191 0.87 EGFR (0.34) LMNAEGFRERBB3P2RX7P2RX3
SCHEMBL1506210 0.86 HDAC3 (0.41) RXRARXRBRXRGKDM4ESYK
SCHEMBL1506184 0.86 P2RX7 (0.38) ALDH1A1EGFRP2RX7P2RX3MAPK1
SCHEMBL1506337 0.85 P2RX7 (0.41) EGFRP2RX7MAPK1FGFR1
SCHEMBL10009231 0.83 CCNE1 (0.39) P2RX7MAPK1
SCHEMBL1506177 0.83 EGFR (0.34) MEN1LMNAKMT2AEGFRERBB3
SCHEMBL10009201 0.83 P2RX7 (0.33) EGFRERBB3P2RX7P2RX3MAPK1

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 RXRA 457/4885RXRB 468/4885RXRG 493/4885

“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.

Send feedback