SCHEMBL4516287

SCHEMBL4516287

O=C(Cl)c1cccnc1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SYK P43405 2/20 0.40
GAA P10253 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
TRPA1 O75762 1/20 0.40
BTK Q06187 4/20 0.40
RAB9A P51151 2/20 0.40
GRM5 P41594 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4530207 0.85 DHODH (0.57) KDM4EDHODHALDH1A1GAARAB9A
SCHEMBL30536524 0.85 DHODH (0.57) KDM4EDHODHALDH1A1GAARAB9A
SCHEMBL4584445 0.84 MAPT (0.55) KDM4EALDH1A1SYKAURKARPS6KB1
Hydrochloric Acid SCHEMBL22609596 0.83 MAPT (0.54) KDM4EALDH1A1SYKAURKARPS6KB1
SCHEMBL16007613 0.82 SIGMAR1 (0.56) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL8691797 0.81 DHODH (0.52) HCRTR1HCRTR2KDM4EDHODHALDH1A1
SCHEMBL17941266 0.81 ALDH1A1 (0.60) HCRTR1HCRTR2KDM4EALDH1A1RAB9A
SCHEMBL15689013 0.79 ALDH1A1 (0.56) KDM4EDHODHALDH1A1GAARAB9A
SCHEMBL28282980 0.79 MAPK8 (0.52) KDM4EALDH1A1SYKAURKARPS6KB1
SCHEMBL3718998 0.78 MAPT (0.52) KDM4EALDH1A1SYKGAAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4209388-B2 2009-01-14 JP claimed
EP-1519936-B1 METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS (US) 2008-01-02 EP claimed
CN-1280293-C Improved process for the preparation of nevirapine BOEHRINGER INGELHEIM CHEMICALS (US) 2006-10-18 CN claimed
JP-2005533083-A 2005-11-04 JP claimed
EP-1519936-A1 IMPROVED METHOD OF MAKING NEVIRAPINE Boehringer Ingelheim Chemicals, Inc. (US) 2005-04-06 EP claimed
US-6680383-B1 REACTING 2-HALO-3-PYRIDINECARBONITRILE WITH CYCLOPROPYLAMINE, THEN HYDROLYZING TO FORM 2-HALONICOTINIC ACID, AMIDATING AND CYCLIZING TO FORM DRUGS USED AS POLYMERASE INHIBITORS; VIRAL DISEASES BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-20 US claimed
WO-2004002988-A1 IMPROVED METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2004-01-08 WO claimed
US-20040002603-A1 Method for making nevirapine BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-01 US claimed
CN-110218211-B Simple preparation method of nevirapine 新发药业有限公司 2020-06-23 CN disclosed
CN-110218211-A A kind of simple and convenient process for preparing of nevirapine 新发药业有限公司 2019-09-10 CN disclosed
WO-2016118586-A1 LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-07-28 WO disclosed
US-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed
EP-1519936-B1 METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS (US) 2008-01-02 EP disclosed
EP-1519936-B1 METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS (US) 2008-01-02 EP disclosed
US-6680383-B1 REACTING 2-HALO-3-PYRIDINECARBONITRILE WITH CYCLOPROPYLAMINE, THEN HYDROLYZING TO FORM 2-HALONICOTINIC ACID, AMIDATING AND CYCLIZING TO FORM DRUGS USED AS POLYMERASE INHIBITORS; VIRAL DISEASES BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-20 US disclosed
US-6680383-B1 REACTING 2-HALO-3-PYRIDINECARBONITRILE WITH CYCLOPROPYLAMINE, THEN HYDROLYZING TO FORM 2-HALONICOTINIC ACID, AMIDATING AND CYCLIZING TO FORM DRUGS USED AS POLYMERASE INHIBITORS; VIRAL DISEASES BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-20 US disclosed
WO-2004002988-A1 IMPROVED METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2004-01-08 WO disclosed
WO-2004002988-A1 IMPROVED METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2004-01-08 WO disclosed
US-20040002603-A1 Method for making nevirapine BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-01 US disclosed
US-20040002603-A1 Method for making nevirapine BOEHRINGER INGELHEIM CHEMICALS, INC. 2004-01-01 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 (1 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-20040002603-A1 Method for making nevirapine IDH1, IDH3B, CBR3 HCRTR1 908/4885HCRTR2 1507/4885KDM4E 1216/4885

“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.