SCHEMBL4185779

SCHEMBL4185779

CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc4ccccc4nc3OC)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.58
PGR P06401 1/20 0.48
AR P10275 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDR P35968 2/20 0.45
IGF1R P08069 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 2/20 0.44
BRAF P15056 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44

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
SCHEMBL4172684 0.91 RAF1 (0.48) RAF1PGRARMEN1KMT2A
SCHEMBL2328292 0.86 RAF1 (0.49) RAF1MEN1KMT2AKDRIGF1R
SCHEMBL10163566 0.85 RAF1 (0.71) RAF1PGRARMEN1KMT2A
SCHEMBL257963 0.85 RAF1 (0.59) RAF1MEN1KMT2AKDRBRAF
SCHEMBL938402 0.83 RAF1 (0.58) RAF1MEN1KMT2AKDRIGF1R
SCHEMBL4181174 0.81 RET (0.56) RAF1MEN1KMT2AKDRBRAF
SCHEMBL12719565 0.79 MEN1 (0.54) MEN1KMT2AKDRIGF1R
SCHEMBL4173358 0.79 RAF1 (0.52) RAF1MEN1KMT2AKDRIGF1R
SCHEMBL261957 0.78 MAPT (0.49) MEN1KMT2AIGF1RNPC1RAB9A
SCHEMBL258013 0.77 RAF1 (0.63) RAF1MEN1KMT2ACASP3SENP8

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
JP-4359817-B2 2009-11-11 JP claimed
JP-2004537511-A 2004-12-16 JP claimed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP claimed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO claimed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US claimed
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 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-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 RAF1 246/4885PGR 1978/4885AR 3697/4885

“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.