SCHEMBL4031265

SCHEMBL4031265

CCN1c2ncccc2NC(=O)c2cc(Br)cnc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 3/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GMNN O75496 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL9705868 0.87 CYP2C9 (0.45) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL8300334 0.85 RAB9A (0.50) RAB9ACHRM2LMNAUSP2ALDH1A1
SCHEMBL6959718 0.82 MEN1 (0.43) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL6963218 0.82 CYP3A4 (0.46) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL14418888 0.82 CYP3A4 (0.46) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL5744385 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4035355 0.81 CYP3A4 (0.44) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14425195 0.81 CYP3A4 (0.45) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL14418887 0.80 CYP3A4 (0.48) RAB9ACYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL9704218 0.80 CYP2C9 (0.47) RAB9ACYP3A4CYP2C9CYP2C19CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495024-B1 DIPYRIDODIAZEPINONES AS REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-01-28 EP disclosed
US-7273861-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-09-25 US disclosed
US-7273861-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-09-25 US disclosed
US-7105510-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-09-12 US disclosed
EP-1554276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-06-28 EP disclosed
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 EP disclosed
EP-1554276-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-07-20 EP disclosed
EP-1495024-A1 DIPYRIDODIAZEPINONES AS REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-01-12 EP disclosed
WO-2004085437-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-10-07 WO disclosed
US-20040106791-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-06-03 US disclosed
US-6706706-B2 FOR PREVENTING PERINATAL TRANSMISSION OF HIV-1 FROM MOTHER TO BABY AND TREATING HIV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-16 US disclosed
US-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-16 US disclosed
WO-2003080612-A1 DIPYRIDODIAZEPINONES AS REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-02 WO disclosed
EP-0767172-B1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
US-5705499-A VIRICIDES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-01-06 US disclosed
EP-0767172-A1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1997-04-09 EP disclosed
EP-0482481-A1 Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-04-29 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 (3 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-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors RCOR1, POLR2H, CCR4 RAB9A 2518/4885CYP3A4 74/4885CYP2C9 821/4885
US-20040106791-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, SUB1 RAB9A 2926/4885CYP3A4 274/4885CYP2C9 742/4885
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E RAB9A 3373/4885CYP3A4 560/4885CYP2C9 1933/4885

“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.