SCHEMBL10009796

SCHEMBL10009796

CC[C@@H](O)Cc1cc(Nc2cc(F)c(F)c(F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 17/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ELOVL1 Q9BW60 1/20 0.32
▸ DHFR P00374 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
SCHEMBL27982242 1.00 MAPK1 (0.34) MAPK1P2RX7ELOVL1DHFR
SCHEMBL10009558 1.00 MAPK1 (0.34) MAPK1P2RX7ELOVL1DHFR
SCHEMBL10009314 0.91 MAPK1 (0.35) MAPK1P2RX7DHFR
SCHEMBL27982244 0.91 MAPK1 (0.35) MAPK1P2RX7DHFR
SCHEMBL10008635 0.91 MAPK1 (0.35) MAPK1P2RX7DHFR
SCHEMBL10009040 0.86 P2RX7 (0.36) MAPK1P2RX7
SCHEMBL10009653 0.86 MAPK1 (0.33) MAPK1P2RX7ELOVL1
SCHEMBL10009095 0.86 MAPK1 (0.33) MAPK1P2RX7ELOVL1
SCHEMBL27981741 0.86 MAPK1 (0.33) MAPK1P2RX7ELOVL1
SCHEMBL10010098 0.85 MAPK1 (0.34) MAPK1P2RX7ELOVL1

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 MAPK1 1404/4885P2RX7 43/4885ELOVL1 4807/4885

“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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