SCHEMBL10163430

SCHEMBL10163430

Cc1ccc(Oc2cncc(C(=O)NCCN(C)C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.57
MMP13 P45452 3/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 2/20 0.47
MAPK14 Q16539 2/20 0.47
MMP2 P08253 1/20 0.47
STAT3 P40763 1/20 0.47
FYN P06241 3/20 0.44
RAD52 P43351 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.44
KDR P35968 1/20 0.43
MAOB P27338 1/20 0.43
SIRT2 Q8IXJ6 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
SCHEMBL13932809 0.86 MMP13 (0.71) RAF1MMP13ALDH1A1HTTSMN1; SMN2
SCHEMBL10163507 0.86 MMP13 (0.56) RAF1MMP13ALDH1A1HTTSMN1; SMN2
SCHEMBL13778268 0.81 SMN1; SMN2 (0.51) ALDH1A1HTTSMN1; SMN2CYP3A4LMNA
SCHEMBL6014132 0.79 MMP13 (0.67) RAF1MMP13HTTSMN1; SMN2CYP3A4
SCHEMBL27986247 0.78 NPC1 (0.46) RAF1ALDH1A1FYNLMNAALOX5
SCHEMBL10163340 0.76 RAF1 (0.75) RAF1
SCHEMBL6207528 0.76 SMN1; SMN2 (0.67) MMP13ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8739253 0.74 ALDH1A1 (0.68) MMP13ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL26089460 0.74 PKM (0.64) ALDH1A1HTTSMN1; SMN2CYP3A4LMNA
SCHEMBL9926362 0.74 SIRT2 (0.65) MMP13ALDH1A1SIRT2SIRT1SIRT3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381177-B2 Substituted N-(2-arylamino)aryl sulfonamide-containing combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-05 US disclosed
US-9381177-B2 Substituted N-(2-arylamino)aryl sulfonamide-containing combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-05 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BAYER HEALTHCARE LLC 2008-02-07 US disclosed
US-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BAYER HEALTHCARE LLC 2008-02-07 US disclosed
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors BAYER HEALTHCARE LLC 2008-01-31 US disclosed
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors BAYER HEALTHCARE LLC 2008-01-31 US disclosed
EP-1636585-B1 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORP (US) 2008-01-16 EP disclosed
US-7235576-B1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2007-06-26 US disclosed
US-7235576-B1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2007-06-26 US disclosed
WO-2007053574-A2 COMBINATIONS COMPRISING SORAFENIB AND INTERFERON FOR THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 WO disclosed
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity BAYER HEALTHCARE LLC 2007-01-25 US disclosed
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity BAYER HEALTHCARE LLC 2007-01-25 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 (6 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-20080032979-A1 Omega-Carboxyaryl Substituted Diphenyl Ureas As Raf Kinease Inhibitors BRAF, NRAS, RAF1 RAF1 3/4885MMP13 1139/4885ALDH1A1 899/4885
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 RAF1 51/4885MMP13 2640/4885ALDH1A1 735/4885
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 RAF1 452/4885MMP13 2429/4885ALDH1A1 1329/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB RAF1 532/4885MMP13 1919/4885ALDH1A1 160/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885MMP13 3477/4885ALDH1A1 1800/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885MMP13 3947/4885ALDH1A1 1392/4885

“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.