SCHEMBL10009201

SCHEMBL10009201

CC[C@@H](O)Cc1cc(Nc2cc(Cl)cc(OC)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ MAPK1 P28482 9/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ TGFBR1 P36897 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ F2R P25116 1/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL10010193 1.00 P2RX7 (0.33) P2RX7EGFRERBB3MAPK1ROCK2
SCHEMBL27981728 1.00 P2RX7 (0.33) P2RX7EGFRERBB3MAPK1ROCK2
SCHEMBL10009040 0.88 P2RX7 (0.36) P2RX7MAPK1JAK2
SCHEMBL1506170 0.88 GSK3B (0.41) MAPK1CDK4CDK2
SCHEMBL1506141 0.88 GSK3B (0.41) MAPK1CDK4CDK2
SCHEMBL1506232 0.87 EGFR (0.35) P2RX7EGFRERBB3MAPK1TGFBR1
SCHEMBL10010256 0.85 MAPK1 (0.41) EGFRMAPK1TGFBR1CDK4CDK2
SCHEMBL1506191 0.84 EGFR (0.34) P2RX7EGFRERBB3MAPK1TGFBR1
SCHEMBL1506150 0.83 P2RX7 (0.37) P2RX7EGFRERBB3MAPK1FGFR1
SCHEMBL1506194 0.83 RXRA (0.41) P2RX7EGFRERBB3MAPK1FGFR1

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 P2RX7 43/4885EGFR 966/4885ERBB3 740/4885

“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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