SCHEMBL1506277

SCHEMBL1506277

Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CCC(=O)N(C)C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ BRAF P15056 9/20 0.37
▸ KIT P10721 8/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ TGFBR1 P36897 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
SCHEMBL1506199 0.90 CYP1A2 (0.41) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506162 0.85 CYP1A2 (0.40) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506317 0.84 BRAF (0.38) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506178 0.84 MAPK1 (0.38) MAPK1
SCHEMBL1506086 0.84 CYP1A2 (0.42) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL10009662 0.84 CYP1A2 (0.42) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL10009318 0.82 BRAF (0.42) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506259 0.81 ADORA3 (0.38) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506374 0.81 KIT (0.41) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506149 0.81 PIK3CA (0.38) CYP1A2ADORA3ADORA2AADORA2BADORA1

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
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US 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 CYP1A2 869/4885ADORA3 36/4885ADORA2A 46/4885

“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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