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SCHEMBL177679

SCHEMBL177679

CC(C)(C)c1ccnc(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.59
▸ BRAF P15056 6/20 0.59
▸ RAF1 P04049 6/20 0.57
▸ CNR1 P21554 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPK14 Q16539 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ TNNI3K Q59H18 1/20 0.49

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
SCHEMBL5006751 0.89 RAF1 (0.63) KDRBRAFRAF1TP53RIPK2
SCHEMBL5008981 0.89 RAF1 (0.71) KDRBRAFRAF1TP53RIPK2
SCHEMBL6584549 0.89 KDR (0.60) KDRBRAFRAF1TP53RIPK2
SCHEMBL1381739 0.84 KDR (0.60) KDRBRAFRAF1TP53RIPK2
SCHEMBL177881 0.81 RAB9A (0.59) KDRBRAFTP53NPC1RAB9A
SCHEMBL177853 0.80 RAB9A (0.69) KDRBRAFRAF1CNR1TP53
SCHEMBL14021839 0.76 MEN1 (0.65) NPC1RAB9AKDM4E
SCHEMBL4169778 0.76 RAB9A (0.70) KDRBRAFTP53NPC1RAB9A
SCHEMBL1380220 0.76 KDR (0.55) KDRBRAFRAF1MAPK14
SCHEMBL257978 0.75 RAF1 (0.65) RAF1TP53NPC1RAB9AMAPK14

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 30 patents — showing the first 20. 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-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
EP-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 — — EP disclosed
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
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 — — US disclosed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 — — EP disclosed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 — — US disclosed
US-20020165394-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER CORPORATION 2002-11-07 — — US disclosed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 — — WO disclosed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 — — WO disclosed
WO-2002062763-A2 INHIBITION OF RAF KINASE USING QUINOLYL ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-08-15 — — WO disclosed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 — — 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 (5 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-20020165394-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF KDR 1324/4885BRAF 1/4885RAF1 2/4885
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF KDR 1420/4885BRAF 1/4885RAF1 2/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF KDR 1396/4885BRAF 1/4885RAF1 2/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF KDR 1420/4885BRAF 1/4885RAF1 2/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 KDR 1661/4885BRAF 108/4885RAF1 246/4885

“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.