SCHEMBL10008796

SCHEMBL10008796

Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CC(=O)NC2CCC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ BTK Q06187 1/20 0.39
▸ ERBB2 P04626 2/20 0.38
▸ PDE4B Q07343 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RIPK1 Q13546 2/20 0.37
▸ GAK O14976 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ RET P07949 1/20 0.37
▸ EPHA1 P21709 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ EPHA2 P29317 1/20 0.37
▸ EPHB2 P29323 1/20 0.37
▸ EPHA5 P54756 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ EPHA4 P54764 1/20 0.37
▸ ADK P55263 1/20 0.37

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
SCHEMBL10010359 0.97 P2RX7 (0.40) MAPK1P2RX7BTKERBB2PDE4B
SCHEMBL1506129 0.88 P2RX7 (0.42) MAPK1P2RX7ERBB2RIPK1GAK
SCHEMBL10011414 0.88 KMT2A (0.40) P2RX7BTKERBB2PDE4BALDH1A1
SCHEMBL1506304 0.88 P2RX7 (0.42) MAPK1P2RX7ERBB2RIPK1GAK
SCHEMBL1506082 0.86 P2RX7 (0.45) MAPK1P2RX7ERBB2RIPK1
SCHEMBL1506212 0.84 RIPK1 (0.43) MAPK1P2RX7ERBB2RIPK1GAK
SCHEMBL1506079 0.82 IDO1 (0.41) MAPK1P2RX7RIPK1EGFR
SCHEMBL1506117 0.82 RIPK1 (0.41) MAPK1P2RX7RIPK1
SCHEMBL1506045 0.80 CYP1A2 (0.40) P2RX7ERBB2ALDH1A1RIPK1GAK
SCHEMBL1506211 0.80 IDO1 (0.40) MAPK1P2RX7RIPK1EGFR

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 MAPK1 1404/4885P2RX7 43/4885BTK 2520/4885

“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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