SCHEMBL110389

SCHEMBL110389

NNC(=O)c1ncccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 1.00
KDM4E B2RXH2 3/20 0.46
MPO P05164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCL1 Q07820 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MAPT P10636 3/20 0.39
KDM5A P29375 1/20 0.38

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
SCHEMBL6221739 0.78 P2RX7 (0.64) P2RX7KDM4EMPOCYP3A4CYP1A2
SCHEMBL1412804 0.77 P2RX7 (0.62) P2RX7KDM4EMPOSMN1; SMN2GAA
SCHEMBL5159948 0.76 P2RX7 (0.61) P2RX7KDM4EMPOCYP3A4CYP1A2
SCHEMBL29253227 0.76 P2RX7 (0.61) P2RX7KDM4ECYP1A2SMN1; SMN2CTNNB1
SCHEMBL2363536 0.75 P2RX7 (0.60) P2RX7KDM4EALDH1A1GAACTNNB1
SCHEMBL16098187 0.75 P2RX7 (0.60) P2RX7KDM4EMEN1KMT2AALDH1A1
SCHEMBL31589536 0.75 P2RX7 (0.59) P2RX7KDM4EMPOCYP3A4CYP1A2
SCHEMBL13359252 0.75 P2RX7 (0.59) P2RX7KDM4EGAAL3MBTL1LMNA
SCHEMBL930305 0.75 P2RX7 (0.59) P2RX7KDM4EMPOCYP3A4CYP1A2
SCHEMBL16027768 0.75 P2RX7 (0.59) P2RX7KDM4EMPOCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181159-B 2,4, 5-trisubstituted pyrimidine hydrazide derivative and preparation method and application thereof 南通大学 2024-02-20 CN claimed
CN-117003730-A Substituted pyrimidine hydrazide compound and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2023-11-07 CN claimed
WO-2023208018-A1 SUBSTITUTED PYRIMIDINE HYDRAZIDE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2023-11-02 WO claimed
CN-116621783-A Pyrimidine hydrazide organic gel factor and preparation and application thereof 上海应用技术大学 2023-08-22 CN claimed
CN-114181159-A Hydrazide derivative containing 2,4, 5-trisubstituted pyrimidine, preparation method and application thereof 南通大学 2022-03-15 CN claimed
CN-116621783-B Pyrimidine hydrazide organic gel factor and preparation and application thereof 上海应用技术大学 2026-03-17 CN disclosed
CN-116621783-B Pyrimidine hydrazide organic gel factor and preparation and application thereof 上海应用技术大学 2026-03-17 CN disclosed
US-11932683-B2 Cellular factors involved in the cytotoxicity of Staphylococcus aureus leukocidins: novel therapeutic targets NEW YORK UNIVERSITY (US) 2024-03-19 US disclosed
CN-114181159-B 2,4, 5-trisubstituted pyrimidine hydrazide derivative and preparation method and application thereof 南通大学 2024-02-20 CN disclosed
CN-114181159-B 2,4, 5-trisubstituted pyrimidine hydrazide derivative and preparation method and application thereof 南通大学 2024-02-20 CN disclosed
CN-114181159-B 2,4, 5-trisubstituted pyrimidine hydrazide derivative and preparation method and application thereof 南通大学 2024-02-20 CN disclosed
CN-117003730-A Substituted pyrimidine hydrazide compound and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2023-11-07 CN disclosed
CN-1103770-C Quinoxalinediones PFIZER RES AND DEV CO N V S A (IE) 2003-03-26 CN disclosed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
CN-1213369-A Quinoxalinedione compound PFIZER RES & DEV (IE) 1999-04-07 CN disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed
EP-0569493-A4 SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES 1993-11-24 EP disclosed
EP-0569493-A1 SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1993-11-18 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 (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-11932683-B2 Cellular factors involved in the cytotoxicity of Staphylococcus aureus leukocidins: novel therapeutic targets CXCR1, CXCR2, CXCR5 P2RX7 1524/4885KDM4E 4734/4885MPO 277/4885

“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.