SCHEMBL1506374

SCHEMBL1506374

Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CC(=O)NC2CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.41
▸ BRAF P15056 2/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ MAPK1 P28482 8/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ULK1 O75385 1/20 0.37

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
SCHEMBL1506130 0.97 RECQL (0.40) KITBRAFSMYD3CYP1A2RECQL
SCHEMBL10009662 0.90 CYP1A2 (0.42) KITBRAFCYP1A2RECQLSMN1; SMN2
SCHEMBL10010643 0.89 MAPK1 (0.40) KITBRAFCYP1A2RECQLSMN1; SMN2
SCHEMBL10009318 0.88 BRAF (0.42) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506086 0.86 CYP1A2 (0.42) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506162 0.84 CYP1A2 (0.40) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506199 0.83 CYP1A2 (0.41) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506317 0.81 BRAF (0.38) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506277 0.81 CYP1A2 (0.39) KITBRAFCYP1A2ADORA3ADORA2A
SCHEMBL1506259 0.80 ADORA3 (0.38) KITBRAFCYP1A2ADORA3ADORA2A

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 KIT 1930/4885BRAF 3496/4885SMYD3 3435/4885

“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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