SCHEMBL6014155

SCHEMBL6014155

Cc1ccc(Oc2cccc(C(=O)NCCN3CCOCC3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.74
CYP2C9 P11712 1/20 0.74
DRD4 P21917 3/20 0.65
DRD2 P14416 1/20 0.65
RAF1 P04049 1/20 0.62
POLB P06746 3/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
EPHX2 P34913 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL617886 0.89 CYP2C19 (0.71) CYP2C19CYP2C9DRD4RAF1POLB
SCHEMBL8737039 0.89 DRD4 (0.64) CYP2C19CYP2C9DRD4DRD2RAF1
SCHEMBL618180 0.86 CYP2C19 (0.66) CYP2C19CYP2C9DRD4RAF1POLB
SCHEMBL30098940 0.85 CYP2C19 (1.00) CYP2C19CYP2C9DRD4DRD2POLB
SCHEMBL15822962 0.85 CYP2C19 (1.00) CYP2C19CYP2C9DRD4DRD2POLB
SCHEMBL6014113 0.85 RAF1 (0.63) CYP2C19CYP2C9RAF1POLBCYP1A2
SCHEMBL279958 0.84 CYP2C19 (0.72) CYP2C19CYP2C9POLBCYP1A2CYP2D6
SCHEMBL1366896 0.82 CYP2C19 (0.77) CYP2C19CYP2C9DRD4DRD2POLB
SCHEMBL18779419 0.82 POLB (0.57) CYP2C19CYP2C9DRD4DRD2POLB
SCHEMBL12020260 0.82 DRD4 (0.51) CYP2C19CYP2C9DRD4DRD2RAF1

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 49 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-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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US 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-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 CYP2C19 1002/4885CYP2C9 1320/4885DRD4 3217/4885
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 CYP2C19 1432/4885CYP2C9 1502/4885DRD4 4253/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB CYP2C19 125/4885CYP2C9 49/4885DRD4 4191/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF CYP2C19 4156/4885CYP2C9 4179/4885DRD4 4636/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP2C19 2809/4885CYP2C9 2926/4885DRD4 4119/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP2C19 1851/4885CYP2C9 1943/4885DRD4 3696/4885

“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.