SCHEMBL4420926

SCHEMBL4420926

COC(=O)c1[nH]c(C(C)(C)C)cc1N(C(N)=O)c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
RAF1 P04049 2/20 0.43
CYP2C9 P11712 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
NR1I2 O75469 1/20 0.36
GMNN O75496 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
SCHEMBL4423633 0.81 MAPK14 (0.51) MAPK14RAF1MEN1KMT2AKDM4E
SCHEMBL4428564 0.80 MAPK14 (0.44) MAPK14RAF1HPGDTSHRLMNA
SCHEMBL3237561 0.72 MAPK14 (1.00) MAPK14RAF1MEN1KMT2A
SCHEMBL9894387 0.68 MAPK14 (0.38) MAPK14RAF1
SCHEMBL3631505 0.68 MAPK14 (0.53) MAPK14RAF1LMNAMAPT
SCHEMBL6049504 0.67 MAPK14 (0.47) MAPK14CYP2C9MEN1KMT2ACYP1A2
SCHEMBL13388539 0.67 RORB (0.38) MAPK14MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL6824297 0.66 DAO (0.36) MAPK14MEN1KMT2AKDM4EALDH1A1
SCHEMBL6049586 0.66 MAPK14 (0.45) MAPK14MEN1KMT2ATSHR
SCHEMBL13388893 0.66 CYP2C19 (0.43) MEN1KMT2AKDM4ECYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344960-B2 2009-10-14 JP claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 MAPK14 40/4885RAF1 237/4885CYP2C9 1797/4885

“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.