SCHEMBL10009079

SCHEMBL10009079

Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CCC(=O)N(C)C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.39
▸ RIPK1 Q13546 6/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ EGFR P00533 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ GRIN2B Q13224 3/20 0.35

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
SCHEMBL1506117 0.90 RIPK1 (0.41) RIPK1P2RX7IDO1HDAC3HDAC1
SCHEMBL1506079 0.85 IDO1 (0.41) RIPK1P2RX7IDO1HDAC3HDAC1
SCHEMBL1506211 0.84 IDO1 (0.40) RIPK1P2RX7IDO1HDAC3HDAC1
SCHEMBL1506212 0.84 RIPK1 (0.43) ERBB2RIPK1P2RX7IDO1HDAC3
SCHEMBL1506304 0.84 P2RX7 (0.42) ERBB2RIPK1P2RX7IDO1HDAC3
SCHEMBL1506082 0.82 P2RX7 (0.45) ERBB2RIPK1P2RX7IDO1HDAC3
SCHEMBL10010222 0.81 IDO1 (0.39) RIPK1P2RX7IDO1HDAC3HDAC1
SCHEMBL10008870 0.81 IDO1 (0.39) RIPK1P2RX7IDO1HDAC3HDAC1
SCHEMBL10010359 0.81 P2RX7 (0.40) ERBB2RIPK1P2RX7IDO1EGFR
SCHEMBL1506265 0.81 IDO1 (0.40) RIPK1P2RX7IDO1HDAC3HDAC1

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 ERBB2 780/4885RIPK1 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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