SCHEMBL10008929

SCHEMBL10008929

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ MAPK1 P28482 6/20 0.33
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ ERBB3 P21860 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
SCHEMBL1506194 0.90 RXRA (0.41) P2RX7MAPK1EGFRFGFR1RXRA
SCHEMBL1506128 0.87 GSK3B (0.40) MAPK1SYK
SCHEMBL1506150 0.85 P2RX7 (0.37) P2RX7MAPK1EGFRFGFR1P2RX3
SCHEMBL1506232 0.85 EGFR (0.35) P2RX7MAPK1EGFRFGFR1TGFBR1
SCHEMBL1506191 0.84 EGFR (0.34) P2RX7MAPK1EGFRFGFR1TGFBR1
SCHEMBL1506184 0.84 P2RX7 (0.38) PTGS2P2RX7MAPK1EGFRFGFR1
SCHEMBL1506337 0.82 P2RX7 (0.41) P2RX7MAPK1EGFRFGFR1
SCHEMBL10009231 0.81 CCNE1 (0.39) P2RX7MAPK1
SCHEMBL1506178 0.81 MAPK1 (0.38) P2RX7MAPK1
SCHEMBL1506177 0.81 EGFR (0.34) PTGS2P2RX7MAPK1EGFRERBB3

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 3 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
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US 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 ALOX5 4258/4885PTGS2 2678/4885P2RX7 43/4885

“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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