SCHEMBL3176541

SCHEMBL3176541

NC(=O)c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAOB P27338 3/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 2/20 0.46
HTT P42858 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42

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
SCHEMBL313614 0.84 CYP2C9 (0.48) S1PR1RXRARXRBRXRGMAOB
SCHEMBL3427596 0.84 S1PR1 (0.46) S1PR1RXRARXRBRXRGMAOB
SCHEMBL15019876 0.83 MAPK1 (0.43) RXRAMAOBKMT2AKDM4EMEN1
SCHEMBL4280304 0.83 MAPK1 (0.61) KMT2AKDM4EMEN1MAPTCYP2C9
SCHEMBL3428539 0.83 KMT2A (0.41) S1PR1RXRARXRBRXRGMAOB
SCHEMBL10088909 0.82 NOTUM (0.56) S1PR1RXRARXRBRXRGKMT2A
SCHEMBL628125 0.81 MAPK1 (0.54) KMT2AKDM4EMEN1MAPTCYP2C9
SCHEMBL856030 0.80 RXRA (0.70) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL12554065 0.80 MAPK1 (0.43) RXRAMAOBKMT2AKDM4EMEN1
SCHEMBL1924095 0.80 PLOD2 (0.49) S1PR1RXRARXRBRXRGKMT2A

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-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA S1PR1 4315/4885RXRA 4375/4885RXRB 4350/4885

“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.