SCHEMBL10008600

SCHEMBL10008600

COc1cc(Cl)cc(Nc2cc(CC(=O)NCC3CC3)n(-c3ccnc(C)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ MAPK1 P28482 5/20 0.36
▸ FAAH O00519 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL10009231 0.89 CCNE1 (0.39) P2RX7MAPK1CCNE1CDK2
SCHEMBL1506337 0.89 P2RX7 (0.41) P2RX7MAPK1
SCHEMBL1506161 0.88 CDK2 (0.38) P2RX7MAPK1CNR2CDK2
SCHEMBL10009346 0.88 CCNE1 (0.38) MAPK1MEN1KMT2ASMN1; SMN2CNR2
SCHEMBL1506184 0.87 P2RX7 (0.38) P2RX7MAPK1SMN1; SMN2
SCHEMBL1506150 0.85 P2RX7 (0.37) P2RX7MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL1506339 0.82 MAPK1 (0.41) P2RX7MAPK1CNR2
SCHEMBL1506232 0.82 EGFR (0.35) P2RX7MAPK1
SCHEMBL1506194 0.81 RXRA (0.41) P2RX7MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL1506340 0.81 CYP2D6 (0.46) MAPK1CNR2

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 4 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
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 F10 3732/4885P2RX7 43/4885MAPK1 1404/4885

“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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