SCHEMBL6014113

SCHEMBL6014113

Cc1ccc(Oc2cncc(C(=O)NCCN3CCOCC3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.63
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
ICAM1 P05362 1/20 0.56
SELE P16581 1/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.54
CD274 Q9NZQ7 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL6014155 0.85 CYP2C19 (0.74) RAF1CYP2C19CYP2C9POLBALDH1A1
SCHEMBL13632449 0.84 POLB (0.62) CYP2C19CYP2C9POLBALDH1A1KDM4E
SCHEMBL13458640 0.81 RAF1 (0.44) RAF1CYP2C19ICAM1SELEALDH1A1
SCHEMBL13932809 0.80 MMP13 (0.71) RAF1CYP2C19CYP2C9ICAM1SELE
SCHEMBL10163507 0.80 MMP13 (0.56) RAF1CYP2C19CYP2C9ALDH1A1HTT
SCHEMBL280240 0.80 MEN1 (0.76) CYP2C19POLBALDH1A1KDM4EHTT
SCHEMBL6014788 0.80 RAF1 (0.63) RAF1POLBALDH1A1HTT
SCHEMBL18779419 0.79 POLB (0.57) CYP2C19CYP2C9ICAM1SELEPOLB
SCHEMBL10163430 0.77 RAF1 (0.57) RAF1CYP2C19CYP2C9ALDH1A1HTT
SCHEMBL937226 0.77 RAF1 (1.00) RAF1

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 46 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
EP-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP 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 3/4885CYP2C19 2593/4885CYP2C9 2297/4885
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 RAF1 51/4885CYP2C19 1002/4885CYP2C9 1320/4885
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 RAF1 452/4885CYP2C19 1432/4885CYP2C9 1502/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB RAF1 532/4885CYP2C19 125/4885CYP2C9 49/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885CYP2C19 2809/4885CYP2C9 2926/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885CYP2C19 1851/4885CYP2C9 1943/4885

“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.