SCHEMBL4439055

SCHEMBL4439055

CCOC(=O)c1cnn2c(C)c(Cc3cccc(C(F)(F)F)c3)cnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.54
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KLK7 P49862 1/20 0.43

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
SCHEMBL14033204 0.89 KDM4E (0.45) BRAFKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL14033393 0.88 BRAF (0.53) BRAFKDM4EHPGDHSD17B10CASP1
SCHEMBL14033899 0.85 NPC1 (0.58) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL14033412 0.80 KDM4E (0.45) BRAFKDM4EHPGDHSD17B10CASP1
SCHEMBL14033387 0.80 GPR52 (0.49) BRAFKDM4EALDH1A1MAPT
SCHEMBL14033397 0.80 NPC1 (0.47) BRAFKDM4EHPGDHSD17B10CASP1
SCHEMBL22796777 0.79 ALDH1A1 (0.53) BRAFKDM4EHPGDHSD17B10CASP1
SCHEMBL14033041 0.78 KDM5A (0.46) BRAFKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3164329 0.77 BRAF (0.82) BRAFKDM4EHPGDHSD17B10CASP1
SCHEMBL24852908 0.74 GPR52 (0.52) BRAFKDM4EHPGDNPC1RAB9A

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
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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-20080255153-A1 New compounds SCD, SCD5, FADS2 BRAF 2513/4885KDM4E 1192/4885HPGD 364/4885

“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.