SCHEMBL801341

SCHEMBL801341

NC(=O)c1cc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
CASP1 P29466 1/20 0.40
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NNMT P40261 1/20 0.37
VCAM1 P19320 1/20 0.37
KCNMA1 Q12791 1/20 0.36
BCL2L1 Q07817 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL30287108 1.00 CYP3A4 (0.45) CYP3A4MAPTBLMPMP22ALDH1A1
SCHEMBL801584 0.85 DTYMK (0.46) MAPTALDH1A1KMT2ALMNAVCAM1
SCHEMBL30287096 0.83 CA12 (0.43) CYP3A4MAPTKMT2ALMNAVCAM1
SCHEMBL2185789 0.83 CA12 (0.43) CYP3A4MAPTKMT2ALMNAVCAM1
SCHEMBL8564329 0.81 ALDH1A1 (0.50) CYP3A4MAPTBLMPMP22ALDH1A1
SCHEMBL29105409 0.80 RAB9A (0.40) MAPTALDH1A1KMT2ALMNANPC1
Nitrous Acid SCHEMBL29105411 0.80 DTYMK (0.45) MAPTALDH1A1KMT2APOLB
SCHEMBL29828356 0.80 POLB (0.47) MAPTALDH1A1KMT2ALMNASIRT6
SCHEMBL1092975 0.80 POLB (0.47) MAPTALDH1A1KMT2ALMNASIRT6
SCHEMBL27824182 0.80 POLB (0.36) MAPTALDH1A1KMT2ALMNASMN1; 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN claimed
CN-115650909-A Synthetic method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2023-01-31 CN claimed
US-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ENLIVEN INC (US) 2026-03-19 US disclosed
EP-4587124-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 Enliven Inc. (US) 2025-07-23 EP disclosed
US-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2024-12-26 US disclosed
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN disclosed
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN disclosed
WO-2024059558-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ENLIVEN INC. (US) 2024-03-21 WO disclosed
CN-116568689-A Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-08 CN disclosed
WO-2023067546-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-04-27 WO disclosed
CN-115650909-A Synthetic method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2023-01-31 CN disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
EP-2366691-B1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO LTD (CN) 2015-04-15 EP disclosed
US-8940770-B2 Nitropyridinyl ethyleneimine compound, the pharmaceutical composition containing it, the preparation method and use thereof BEIJING YILING BIOENGINEERING CO., LTD. (CN) 2015-01-27 US disclosed
US-8940770-B2 Nitropyridinyl ethyleneimine compound, the pharmaceutical composition containing it, the preparation method and use thereof BEIJING YILING BIOENGINEERING CO., LTD. (CN) 2015-01-27 US disclosed
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2014-03-13 US disclosed
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2014-03-13 US disclosed
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2012-03-22 US disclosed
EP-2366691-A1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF Beijing Yiling Bioengineering Co., Ltd. (CN) 2011-09-21 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 (4 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-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 CYP3A4 90/4885MAPT 3373/4885BLM 2669/4885
US-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS KRAS, NRAS, SOS1 CYP3A4 1942/4885MAPT 4329/4885BLM 2708/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 CYP3A4 90/4885MAPT 3373/4885BLM 2669/4885
US-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ERBB2, BRCA1, ERBB3 CYP3A4 2124/4885MAPT 4421/4885BLM 1862/4885

“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.