SCHEMBL4535545

SCHEMBL4535545

N#Cc1cccnc1NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP2D6 P10635 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP2C9 P11712 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP3 P42574 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL6509693 0.92 IRAK4 (0.48) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL11169214 0.92 KDM4E (0.50) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL1034425 0.89 CYP1A2 (0.46) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL1032978 0.84 BRD4 (0.44) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL1032977 0.84 BRD4 (0.44) HPGDALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL4705404 0.83 UTS2R (0.40) CYP2D6CYP3A4CYP1A2CYP2C19USP2
SCHEMBL31403002 0.81 JAK3 (0.49) CYP2D6CYP3A4HSD11B1HSD11B2IRAK4
SCHEMBL13003296 0.80 ACHE (0.71) LMNARAB9ASMN1; SMN2POLBKDM4E
SCHEMBL3335610 0.76 GPR119 (0.54) ALDH1A1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL31350706 0.74 HPGD (0.53) HPGDALDH1A1CYP2D6CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016118586-A1 LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-07-28 WO disclosed
WO-2016118586-A1 LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-07-28 WO disclosed
CN-104774204-A Methods for preparation of nevirapine and intermediate thereof LUNAN BETTER PHARMACEUTICAL CO LTD 2015-07-15 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 HPGD 497/4885ALDH1A1 313/4885CYP2D6 62/4885

“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.