SCHEMBL1506211

SCHEMBL1506211

Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CCCO)ccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ RIPK1 Q13546 6/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ GPR52 Q9Y2T5 2/20 0.34
▸ EGFR P00533 2/20 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
SCHEMBL1506079 0.91 IDO1 (0.41) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL1506117 0.87 RIPK1 (0.41) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL10010222 0.85 IDO1 (0.39) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL10008870 0.85 IDO1 (0.39) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL1506265 0.84 IDO1 (0.40) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL10009079 0.84 ERBB2 (0.39) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL10009645 0.84 MAPK1 (0.41) IDO1RIPK1MAPK1EGFR
SCHEMBL1506304 0.84 P2RX7 (0.42) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL1506212 0.84 RIPK1 (0.43) IDO1RIPK1P2RX7HDAC3HDAC1
SCHEMBL1506082 0.82 P2RX7 (0.45) IDO1RIPK1P2RX7HDAC3HDAC1

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 5 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
EP-2491024-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES Janssen Pharmaceutica N.V. (BE) 2012-08-29 — — EP disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US disclosed
WO-2011033018-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2011-03-24 — — WO 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 IDO1 622/4885RIPK1 2211/4885P2RX7 43/4885

“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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