SCHEMBL3919604

SCHEMBL3919604

Cn1cnc(-c2cccc(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MAP4K4 O95819 5/20 0.46

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
SCHEMBL8258647 0.80 CYP2E1 (0.57) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2671981 0.79 CYP2C9 (0.51) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL311156 0.79 CYP2E1 (0.65) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL23539461 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL9657296 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30042352 0.79 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30133185 0.79 HSD17B1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL21566689 0.76 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17300882 0.76 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17304016 0.76 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 EP disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 US disclosed
WO-2004101533-A1 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (US) 2004-11-25 WO disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO 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-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 CYP2E1 268/4885CYP2A6 314/4885CYP2C9 44/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CYP2E1 141/4885CYP2A6 330/4885CYP2C9 244/4885

“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.