SCHEMBL5070735

SCHEMBL5070735

COc1cc(C(F)(F)F)ccc1N=C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
HTR2A P28223 1/20 0.38
CYP2C19 P33261 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL178010 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1CYP2C19
SCHEMBL30313140 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1CYP2C19
SCHEMBL8123499 0.85 CYP3A4 (0.65) CYP3A4ALDH1A1HPGDTDP1HSD17B10
SCHEMBL10589697 0.85 CYP3A4 (0.65) CYP3A4ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL30832936 0.83 CYP3A4 (0.41) CYP3A4ALDH1A1HPGDTDP1HTR2A
SCHEMBL6220134 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDTDP1MEN1
SCHEMBL1943486 0.78 CYP3A4 (0.69) CYP3A4ALDH1A1HPGDTDP1CYP2C19
SCHEMBL2090152 0.78 CYP2C19 (0.41) CYP3A4ALDH1A1HPGDHTR2ACYP2C19
SCHEMBL14992 0.78 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDTDP1CYP2C19
SCHEMBL29350162 0.78 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDTDP1CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250156-B Cinnamylate oxadiazine derivative and preparation method and application thereof 华南农业大学 2021-07-09 CN disclosed
EP-1158985-A4 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-03-12 EP disclosed
EP-1751155-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005113552-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2005-12-01 WO disclosed
WO-2002062763-A2 INHIBITION OF RAF KINASE USING QUINOLYL ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-08-15 WO disclosed
US-20020042517-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER CORPORATION 2002-04-11 US disclosed
EP-1158985-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2001-12-05 EP disclosed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP disclosed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 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 (2 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-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CYP3A4 2260/4885ALDH1A1 1392/4885HPGD 2745/4885
US-20020042517-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CYP3A4 2260/4885ALDH1A1 1392/4885HPGD 2745/4885

“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.