SCHEMBL5010903

SCHEMBL5010903

CC(C)(C)c1ccnc(NC(=O)Nc2cccc(Sc3ccncc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.51
BRAF P15056 5/20 0.48
MAPK14 Q16539 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
IDH2 P48735 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
KDR P35968 3/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5006752 0.89 MAPK14 (0.57) RAF1BRAFMAPK14SMN1; SMN2TP53
SCHEMBL668089 0.80 MEN1 (0.63) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL936531 0.79 MAPK14 (0.54) RAF1BRAFMAPK14SMN1; SMN2NPC1
SCHEMBL12443666 0.77 RAB9A (0.62) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL667132 0.75 MAPK14 (0.80) RAF1BRAFMAPK14LMNAMAPT
SCHEMBL5575766 0.75 RAF1 (0.61) RAF1BRAFMAPK14SMN1; SMN2KMT2A
SCHEMBL667125 0.75 MAPK14 (0.50) RAF1BRAFMAPK14SMN1; SMN2TP53
SCHEMBL5008981 0.75 RAF1 (0.71) RAF1BRAFMAPK14TP53KDR
SCHEMBL257978 0.75 RAF1 (0.65) RAF1MAPK14SMN1; SMN2TP53NPC1
SCHEMBL177881 0.74 RAB9A (0.59) BRAFMAPK14SMN1; SMN2TP53NPC1

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
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US claimed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US claimed
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER HEALTHCARE LLC 2006-01-26 US claimed
EP-1379505-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS Bayer Corporation (US) 2004-01-14 EP claimed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 US claimed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885MAPK14 218/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885MAPK14 218/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885MAPK14 218/4885

“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.