SCHEMBL5008991

SCHEMBL5008991

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cc2ccccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.56
RIPK2 O43353 1/20 0.55
CHEK1 O14757 1/20 0.54
MAPK14 Q16539 2/20 0.54
KDR P35968 2/20 0.54
BRAF P15056 1/20 0.54
TNNI3K Q59H18 1/20 0.54
IMPDH2 P12268 1/20 0.52
WNT3A P56704 1/20 0.51
LMNA P02545 1/20 0.50
MAPK13 O15264 2/20 0.48
ABL1 P00519 1/20 0.48
S1PR2 O95136 1/20 0.48
NAMPT P43490 1/20 0.48
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GCK P35557 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL13363791 0.85 CHEK1 (0.61) RAF1CHEK1MAPK14KDRBRAF
SCHEMBL178161 0.84 WNT3A (0.59) RAF1CHEK1MAPK14IMPDH2WNT3A
SCHEMBL4185802 0.84 RAF1 (0.65) RAF1RIPK2MAPK14KDRBRAF
SCHEMBL177910 0.80 NPC1 (0.60) CHEK1MAPK14KDRIMPDH2LMNA
SCHEMBL177776 0.80 RAB9A (0.63) CHEK1IMPDH2POLB
SCHEMBL258013 0.80 RAF1 (0.63) RAF1CHEK1KDRBRAFGCK
SCHEMBL5008981 0.76 RAF1 (0.71) RAF1RIPK2MAPK14KDRBRAF
SCHEMBL13378905 0.75 KDR (0.60) RAF1RIPK2MAPK14KDRBRAF
SCHEMBL937573 0.74 SRC (0.51) RAF1RIPK2MAPK14KDRBRAF
SCHEMBL3176437 0.74 RAF1 (0.64) RAF1RIPK2MAPK14KDRBRAF

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
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
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP 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 2/4885RIPK2 432/4885CHEK1 102/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF RAF1 2/4885RIPK2 430/4885CHEK1 101/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF RAF1 2/4885RIPK2 432/4885CHEK1 102/4885

“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.