SCHEMBL3245596

SCHEMBL3245596

COC(=O)c1c(NC(=O)Nc2cc(C)cs2)cc(C(C)(C)C)n1C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.68
MAPK14 Q16539 8/20 0.68
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3249076 0.83 RAF1 (0.67) RAF1MAPK14
SCHEMBL3226707 0.81 MAPK14 (1.00) RAF1MAPK14PKMATMALDH1A1
SCHEMBL3241657 0.77 MAPK14 (1.00) RAF1MAPK14MEN1KMT2AKDM4E
SCHEMBL3229460 0.74 RAF1 (1.00) RAF1MAPK14
SCHEMBL3237625 0.74 MAPK14 (1.00) RAF1MAPK14MEN1KMT2A
SCHEMBL3242693 0.74 MAPK14 (1.00) RAF1MAPK14MEN1KMT2AKDM4E
SCHEMBL3217612 0.67 MAPK14 (0.52) RAF1MAPK14ATMKDM4EALDH1A1
SCHEMBL10308314 0.66 RAF1 (0.78) RAF1MAPK14
SCHEMBL28855342 0.65 RAF1 (0.49) RAF1MEN1KMT2APKMKDM4E
SCHEMBL10308265 0.65 MAPK14 (0.50) RAF1MAPK14KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 RAF1 237/4885MAPK14 40/4885MEN1 4239/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 RAF1 237/4885MAPK14 40/4885MEN1 4239/4885

“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.