SCHEMBL5006752

SCHEMBL5006752

CC(C)(C)c1ccnc(NC(=O)Nc2ccc(Sc3ccncc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
TP53 P04637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GBA1 P04062 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAF1 P04049 5/20 0.49
FLT3 P36888 3/20 0.46
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
LMNA P02545 1/20 0.45
RIPK2 O43353 1/20 0.45
CNR1 P21554 1/20 0.44
CSF1R P07333 1/20 0.43

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
SCHEMBL5010903 0.89 RAF1 (0.51) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL5008981 0.83 RAF1 (0.71) MAPK14TP53RAF1BRAFKDR
SCHEMBL257978 0.83 RAF1 (0.65) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL177881 0.82 RAB9A (0.59) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL177853 0.81 RAB9A (0.69) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL668678 0.79 FLT3 (0.73) MAPK14NPC1RAB9ARAF1FLT3
SCHEMBL4243364 0.77 MAPT (0.57) MAPK14TP53RAB9ASMN1; SMN2CYP1A2
SCHEMBL4169778 0.77 RAB9A (0.70) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL5006751 0.76 RAF1 (0.63) MAPK14TP53RAF1BRAFKDR
SCHEMBL6584549 0.76 KDR (0.60) MAPK14TP53NPC1RAB9ASMN1; SMN2

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 MAPK14 218/4885TP53 130/4885NPC1 3399/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF MAPK14 218/4885TP53 133/4885NPC1 3420/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF MAPK14 218/4885TP53 130/4885NPC1 3399/4885

“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.