SCHEMBL1506259

SCHEMBL1506259

CC[C@H](O)Cc1cc(Nc2ccc3c(c2)OC(F)(F)O3)nn1-c1ccnc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ BRAF P15056 8/20 0.35
▸ KIT P10721 7/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ MAPK1 P28482 5/20 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
SCHEMBL1506162 0.88 CYP1A2 (0.40) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL1506317 0.85 BRAF (0.38) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL10009314 0.84 MAPK1 (0.35) MAPK1
SCHEMBL10008635 0.84 MAPK1 (0.35) MAPK1
SCHEMBL27982244 0.84 MAPK1 (0.35) MAPK1
SCHEMBL1506199 0.83 CYP1A2 (0.41) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL1506149 0.83 PIK3CA (0.38) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL10009318 0.83 BRAF (0.42) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL1506086 0.83 CYP1A2 (0.42) ADORA3ADORA2AADORA2BADORA1CYP1A2
SCHEMBL10009662 0.83 CYP1A2 (0.42) ADORA3ADORA2AADORA2BADORA1CYP1A2

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 ADORA3 36/4885ADORA2A 46/4885ADORA2B 84/4885

“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.

Send feedback