SCHEMBL3911587

SCHEMBL3911587

COc1ccnc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.63
CYP3A4 P08684 5/20 0.63
CYP2D6 P10635 5/20 0.63
CYP2C9 P11712 5/20 0.63
CYP2C19 P33261 5/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
BRS3 P32247 1/20 0.44
ATP1A1 P05023 7/20 0.43
ATP1B1 P05026 7/20 0.43
ATP1A3 P13637 7/20 0.43
ATP1B2 P14415 7/20 0.43
ATP4A P20648 7/20 0.43
ATP1A2 P50993 7/20 0.43
ATP4B P51164 7/20 0.43
ATP1B3 P54709 7/20 0.43
FXYD2 P54710 7/20 0.43
ATP1A4 Q13733 7/20 0.43
NOS2 P35228 2/20 0.43
NOS3 P29474 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
SCHEMBL10335251 0.91 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8554015 0.90 CYP2C9 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9834850 0.90 CYP3A4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8503506 0.89 CYP2C9 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8130091 0.89 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10580404 0.89 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8503277 0.88 CYP2C9 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9526970 0.87 CYP2D6 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9026559 0.87 CYP2C9 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10965135 0.87 CYP2D6 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513870-A4 CFTR MODIFIER GENES AND EXPRESSED POLYPEPTIDES USEFUL IN TREATING CYSTIC FIBROSIS AND METHODS AND PRODUCTS FOR DETECTING AND/OR IDENTIFYING SAME CHILDRENS HOSP MEDICAL CENTER (US) 2006-06-07 EP claimed
US-20050158747-A1 CFTR modifier genes and expressed polypeptides useful in treating cystic fibrosis and methods and products for detecting and/or identifying same CHILDREN'S HOSPITAL MEDICAL CENTER 2005-07-21 US claimed
EP-1513870-A2 CFTR MODIFIER GENES AND EXPRESSED POLYPEPTIDES USEFUL IN TREATING CYSTIC FIBROSIS AND METHODS AND PRODUCTS FOR DETECTING AND/OR IDENTIFYING SAME Children's Hospital Medical Center (US) 2005-03-16 EP claimed
WO-2003102140-A2 CFTR MODIFIER GENES AND EXPRESSED POLYPEPTIDES USEFUL IN TREATING CYSTIC FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2003-12-11 WO claimed
US-6159968-A Activation of chloride channels for correction of defective chloride transport UNIVERSITY OF CINCINNATI (US) 2000-12-12 US claimed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US claimed
EP-0080602-A1 Substituted benzimidazoles, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-06-08 EP claimed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 US disclosed
US-7105558-B2 Gastrin and cholecystokinin receptor lignads (iv) THE JAMES BLACK FOUNDATION LIMITED (GB) 2006-09-12 US disclosed
EP-1513870-A4 CFTR MODIFIER GENES AND EXPRESSED POLYPEPTIDES USEFUL IN TREATING CYSTIC FIBROSIS AND METHODS AND PRODUCTS FOR DETECTING AND/OR IDENTIFYING SAME CHILDRENS HOSP MEDICAL CENTER (US) 2006-06-07 EP disclosed
WO-2006051312-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2006-05-18 WO disclosed
WO-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
US-6159968-A Activation of chloride channels for correction of defective chloride transport UNIVERSITY OF CINCINNATI (US) 2000-12-12 US disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US disclosed
EP-0080602-A1 Substituted benzimidazoles, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-06-08 EP 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 (2 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-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CYP1A2 241/4885CYP3A4 196/4885CYP2D6 243/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CYP1A2 241/4885CYP3A4 196/4885CYP2D6 243/4885

“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.