SCHEMBL257978

SCHEMBL257978

CC(C)(C)c1ccnc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.65
MAPK14 Q16539 3/20 0.57
ERBB2 P04626 1/20 0.57
MAPK11 Q15759 1/20 0.57
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
MAPT P10636 4/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
RAB9A P51151 4/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
CYP17A1 P05093 1/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5008981 0.83 RAF1 (0.71) RAF1MAPK14MAPK11TP53
SCHEMBL5006752 0.83 MAPK14 (0.57) RAF1MAPK14MAPTRAB9ASMN1; SMN2
SCHEMBL177881 0.82 RAB9A (0.59) MAPK14MAPTKMT2ARAB9APOLB
SCHEMBL177853 0.81 RAB9A (0.69) RAF1MAPK14MAPTKMT2AMEN1
SCHEMBL667635 0.79 RAF1 (1.00) RAF1MAPK14MAPK11KMT2AMEN1
SCHEMBL12203066 0.78 GCK (0.54) MAPK14MAPTKMT2AMEN1RAB9A
SCHEMBL4244346 0.77 MAPT (0.69) RAF1MAPK14ERBB2MAPK11CCNC
SCHEMBL4169778 0.77 RAB9A (0.70) MAPK14MAPTKMT2AMEN1RAB9A
SCHEMBL6584549 0.76 KDR (0.60) RAF1MAPK14MAPK11MAPTRAB9A
SCHEMBL5006751 0.76 RAF1 (0.63) RAF1MAPK14MAPK11KMT2AMEN1

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 13 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
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP disclosed
EP-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 EP disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP 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 (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 2/4885MAPK14 218/4885ERBB2 421/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF RAF1 2/4885MAPK14 218/4885ERBB2 414/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF RAF1 2/4885MAPK14 218/4885ERBB2 421/4885

“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.