SCHEMBL2328292

SCHEMBL2328292

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc4ccccc4nc3OC)cc2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.49
KDR P35968 4/20 0.47
BRAF P15056 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
IGF1R P08069 1/20 0.44
MCHR1 Q99705 1/20 0.44
PDGFRA P16234 1/20 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
SCHEMBL4185779 0.86 RAF1 (0.58) RAF1KDRBRAFHDAC1HDAC3
SCHEMBL257963 0.84 RAF1 (0.59) RAF1KDRBRAFMEN1KMT2A
SCHEMBL938402 0.82 RAF1 (0.58) RAF1KDRBRAFMEN1KMT2A
SCHEMBL4172684 0.79 RAF1 (0.48) RAF1KDRMEN1KMT2ANPC1
SCHEMBL12719565 0.79 MEN1 (0.54) KDRMEN1KMT2AIGF1RCSF1R
SCHEMBL12749714 0.78 MEN1 (0.47) RAF1KDRMEN1KMT2AIGF1R
SCHEMBL4173358 0.78 RAF1 (0.52) RAF1KDRMEN1KMT2AIGF1R
SCHEMBL4185669 0.77 BRAF (0.39) RAF1KDRBRAFHDAC1HDAC3
SCHEMBL261957 0.77 MAPT (0.49) HDAC6MEN1KMT2ANPC1IGF1R
SCHEMBL4181174 0.76 RET (0.56) RAF1KDRBRAFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 EP claimed
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 246/4885KDR 1661/4885BRAF 108/4885

“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.