SCHEMBL1506317

SCHEMBL1506317

Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CCCO)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.38
▸ KIT P10721 8/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MAPK1 P28482 4/20 0.34

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
SCHEMBL1506162 0.91 CYP1A2 (0.40) BRAFKITCYP1A2TGFBR1ADORA3
SCHEMBL1506199 0.87 CYP1A2 (0.41) BRAFKITCYP1A2ADORA3ADORA2A
SCHEMBL1506259 0.85 ADORA3 (0.38) BRAFKITCYP1A2TGFBR1ADORA3
SCHEMBL1506149 0.85 PIK3CA (0.38) BRAFKITCYP1A2TGFBR1ADORA3
SCHEMBL1506277 0.84 CYP1A2 (0.39) BRAFKITCYP1A2TGFBR1ADORA3
SCHEMBL10009662 0.84 CYP1A2 (0.42) BRAFKITCYP1A2ADORA3ADORA2A
SCHEMBL1506086 0.84 CYP1A2 (0.42) BRAFKITCYP1A2TGFBR1ADORA3
SCHEMBL10009969 0.83 MAPK1 (0.43) BRAFKITCYP1A2TGFBR1PIK3CA
SCHEMBL1506344 0.83 MAPK1 (0.36) MAPK1
SCHEMBL10009318 0.83 BRAF (0.42) BRAFKITCYP1A2ADORA3ADORA2A

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 BRAF 3496/4885KIT 1930/4885CYP1A2 869/4885

“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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