SCHEMBL4585963

SCHEMBL4585963

O=[N+]([O-])Nc1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
PDE10A Q9Y233 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
AURKA O14965 1/20 0.34
DHFR P00374 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL27947132 0.78 HSP90AA1 (0.31) MEN1KMT2A
SCHEMBL9869049 0.75 MAPK1 (0.39) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL31011779 0.73 NPC1 (0.50) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL2413590 0.73 NPC1 (0.50) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL7196085 0.73
SCHEMBL27651050 0.69 MAPT (0.40) KDM4EMEN1GLAKMT2AALDH1A1
SCHEMBL4772249 0.69 RAB9A (0.48) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL7013482 0.69
SCHEMBL27761355 0.67
SCHEMBL57064 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063463-A Preparation method of entecavir 苏州科技大学 2024-05-24 CN disclosed
US-10239859-B2 Nitrogen-containing heterocycles as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-26 US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3319943-A1 NITROGENOUS HETEROCYCLES AS A PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 EP disclosed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO disclosed
US-4116674-A Process of severely damaging or killing unwanted plants with pyrimidine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed
US-3950524-A Hypoglycemic benzenesulfonamido pyrimidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (2 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-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES DDT, DNPH1, PTMS KDM4E 1522/4885MEN1 1996/4885USP2 1504/4885
US-10239859-B2 Nitrogen-containing heterocycles as pesticides DDT, DNPH1, PTMS KDM4E 1522/4885MEN1 1996/4885USP2 1504/4885

“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.