SCHEMBL7982141

SCHEMBL7982141

CNC(=O)c1cnn(Cc2ccc(OC)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.48
AKR1C3 P42330 2/20 0.45
KLKB1 P03952 2/20 0.45
KLK1 P06870 1/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAF1 P04049 3/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
EGFR P00533 1/20 0.44
CDK1 P06493 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
SRC P12931 1/20 0.44
CCNB1 P14635 1/20 0.44
BRAF P15056 1/20 0.44
FGFR3 P22607 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3355835 0.87 NPBWR1 (0.51) NPBWR1AKR1C3RAF1CCNB2CCNE2
SCHEMBL3356344 0.87 MEN1 (0.52) NPBWR1AKR1C3GRIN1GRIN2BMCHR1
SCHEMBL28327863 0.86 NPBWR1 (0.50) NPBWR1AKR1C3RAF1CCNB2CCNE2
SCHEMBL3358730 0.84 NPBWR1 (0.48) NPBWR1AKR1C3RAF1CCNB2CCNE2
SCHEMBL3360073 0.83 NPC1 (0.55) NPBWR1L3MBTL1MAPK1
SCHEMBL368793 0.80 NPBWR1 (0.45) NPBWR1ALOX15L3MBTL1PLK1PDE2A
SCHEMBL10367050 0.80 ALDH1A1 (0.55) NPBWR1MET
SCHEMBL7980023 0.74 KLKB1 (0.60) KLKB1
SCHEMBL3467703 0.74 NPBWR1 (0.49) NPBWR1ALOX15GRIN1GRIN2BMCHR1
SCHEMBL2048509 0.74 NPBWR1 (0.47) NPBWR1GRIN1GRIN2BMCHR1

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 NPBWR1 1638/4885AKR1C3 204/4885KLKB1 1387/4885

“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.