SCHEMBL333251

SCHEMBL333251

c1cncc(-c2nnn[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
BTK Q06187 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2E1 P05181 2/20 0.47
CYP2B6 P20813 2/20 0.47
NPY5R Q15761 1/20 0.46
LDHA P00338 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP2D6 P10635 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
SCHEMBL30147381 1.00 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2BTK
SCHEMBL8258328 0.80 MAP2K4 (0.59) IDO1LRRK2
SCHEMBL3594723 0.78 CDC7 (0.42) CYP2A6ALDH1A1CYP3A4CYP1A2BTK
SCHEMBL13545618 0.78 RAB9A (0.64) ALDH1A1KDM4EMAPTHSD17B10HPGDS
SCHEMBL6775760 0.77 MEN1 (0.45) CYP2A6ALDH1A1CYP3A4CYP1A2MAPT
SCHEMBL4950 0.77 NR1H2 (0.43) ALDH1A1CYP1A2BTKKDM4ELMNA
SCHEMBL1422975 0.77 CHRNB2 (0.59) ALDH1A1CYP3A4CYP1A2KDM4ESMN1; SMN2
SCHEMBL1423544 0.77 CHRNB2 (0.59) ALDH1A1CYP3A4CYP1A2KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL1423322 0.76 CHRNB2 (0.58) ALDH1A1CYP3A4CYP1A2KDM4ESMN1; SMN2
SCHEMBL7383016 0.75 EPHX2 (0.38) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117399072-A Ultra-small cerium-based metal organic framework nano enzyme and preparation method and application thereof 华南理工大学 2024-01-16 CN claimed
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 CN claimed
CN-105017239-A Cu(I)-based metal organic framework, and preparation method and applications thereof UNIV SHANDONG NORMAL 2015-11-04 CN claimed
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation SINDKHEDKAR MILIND D 2009-01-15 US claimed
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 EP claimed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 WO claimed
US-20250034153-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2025-01-30 US disclosed
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-11-07 US disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 CN disclosed
US-20230160904-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-05-25 US disclosed
US-20230124485-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-04-20 US disclosed
EP-4154009-A1 REAGENT FOR MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2023-03-29 EP disclosed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP disclosed
US-4058619-A Thiophene derivatives having antilipolytic activity SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4031236-A ANTILIPOLYTIC AGENTS, FREE FATTY ACIDS SCHERING AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-4021450-A ANTILIPOLYTIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DT) 1977-05-03 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 (5 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-20230124485-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 CYP2A6 694/4885ALDH1A1 498/4885CYP3A4 1298/4885
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation POLL, POLM, POLRMT CYP2A6 1766/4885ALDH1A1 1847/4885CYP3A4 1583/4885
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, NOD1 CYP2A6 2638/4885ALDH1A1 4026/4885CYP3A4 604/4885
US-20230160904-A1 REAGENT FOR MASS SPECTROMETRY SRMS, AKR7A2, PTMS CYP2A6 94/4885ALDH1A1 42/4885CYP3A4 31/4885
US-20250034153-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 CYP2A6 694/4885ALDH1A1 498/4885CYP3A4 1298/4885

“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.