SCHEMBL4530207

SCHEMBL4530207

O=C(O)c1cccnc1NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.57
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
RAB9A P51151 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
NPC1 O15118 3/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL30536524 1.00 DHODH (0.57) DHODHLMNAGAARAB9AKMT2A
SCHEMBL15689013 0.94 ALDH1A1 (0.56) DHODHLMNAGAARAB9AKMT2A
SCHEMBL30260224 0.90 MAPK1 (0.51) DHODHLMNAGAARAB9AKMT2A
SCHEMBL4099139 0.90 DHODH (0.50) DHODHLMNAGAARAB9AKMT2A
SCHEMBL15636147 0.87 HSD11B1 (0.48) DHODHLMNAGAARAB9AKMT2A
SCHEMBL8691797 0.86 DHODH (0.52) DHODHGAARAB9AKMT2AMEN1
SCHEMBL4516287 0.85 HCRTR1 (0.42) DHODHGAARAB9AKMT2AMEN1
SCHEMBL4584445 0.85 MAPT (0.55) LMNARAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17110942 0.84 DHODH (0.51) DHODHLMNAGAARAB9AKMT2A
Hydrochloric Acid SCHEMBL22609596 0.84 MAPT (0.54) LMNARAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016118586-A1 LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-07-28 WO claimed
CN-102321015-A Method for preparing key intermediate 2-(cyclopropylamido)-3-pyridine formic acid of anti-aids medicament Nevirapine LIAONING DEFENG PHARMACEUTICAL CO LTD 2012-01-18 CN claimed
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
CN-1653065-A Improved method for making nevirapine BOEHRINGER INGELHEIM CHEMICALS (US) 2005-08-10 CN 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-116675640-A Preparation method of nevirapine intermediate 2- (cyclopropylamino) nicotinic acid 中科苏州药物研究院 2023-09-01 CN disclosed
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
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
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 DHODH 70/4885LMNA 2234/4885GAA 1585/4885

“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.