SCHEMBL10009346

SCHEMBL10009346

COc1cc(Cl)cc(Nc2cc(CC(=O)NC3CCC3)n(-c3ccnc(C)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 6/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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 0.97 CCNE1 (0.39) CCNE1CDK2MAPK1SIGMAR1
SCHEMBL1506184 0.88 P2RX7 (0.38) MAPK1CYP3A4SMN1; SMN2
SCHEMBL1506213 0.88 CDK2 (0.38) CCNE1CDK2MAPK1CYP3A4
SCHEMBL10008600 0.88 F10 (0.39) CCNE1CDK2MAPK1CNR2MEN1
SCHEMBL1506337 0.86 P2RX7 (0.41) MAPK1CYP3A4
SCHEMBL1506150 0.86 P2RX7 (0.37) CCNE1CDK2MAPK1MEN1KMT2A
SCHEMBL1506183 0.85 CDK2 (0.39) CCNE1CDK2MAPK1
SCHEMBL1506232 0.82 EGFR (0.35) MAPK1
SCHEMBL1506194 0.82 RXRA (0.41) MAPK1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10008365 0.81 MAPK1 (0.43) MAPK1CNR2CYP3A4CYP2C19

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 CCNE1 1513/4885CDK2 1034/4885MAPK1 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.

Send feedback