SCHEMBL1644969

SCHEMBL1644969

Nc1ncc2nc(N)[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NUDT1 P36639 2/20 0.38
MASP2 O00187 1/20 0.38
AOC3 Q16853 1/20 0.38
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK3 P27361 1/20 0.36
XDH P47989 1/20 0.36
HBB P68871 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FABP6 P51161 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29802574 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANUDT1MASP2
Pyridine SCHEMBL422990 0.88 ADORA2A (0.36) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL5942175 0.79 BCL6 (0.35) ALDH1A1BCL6
SCHEMBL2934831 0.79 ADORA2A (0.35) ALDH1A1CLK1
SCHEMBL23963663 0.79 FABP6 (0.41) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL28281755 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL25451172 0.75 FABP6 (0.34) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL25449335 0.75 L3MBTL1 (0.42) ALDH1A1NUDT1SMN1; SMN2
SCHEMBL29941324 0.75 FABP6 (0.34) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL25377896 0.75 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP claimed
WO-2020159447-A1 METHOD OF SYNTHESIZING SINGLE-STRANDED NUCLEOTIDE SEQUENCE, BLOCKED NUCLEOSIDE TRIPHOSPHATES AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-08-06 WO claimed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 EP claimed
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 WO claimed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
EP-3724355-A1 POLYA TAIL LENGTH ANALYSIS OF RNA BY MASS SPECTROMETRY Novartis AG (CH) 2020-10-21 EP disclosed
WO-2020159447-A1 METHOD OF SYNTHESIZING SINGLE-STRANDED NUCLEOTIDE SEQUENCE, BLOCKED NUCLEOSIDE TRIPHOSPHATES AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-08-06 WO disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
WO-2019116346-A1 POLYA TAIL LENGTH ANALYSIS OF RNA BY MASS SPECTROMETRY NOVARTIS AG (CH) 2019-06-20 WO disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
EP-3142483-A1 HUMANIZED C5 AND C3 ANIMALS Regeneron Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
WO-2015171523-A1 HUMANIZED C5 AND C3 ANIMALS REGENERON PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-4644069-A HEATING MALEIC ACID OR ANHYDRIDE WITH AN AMIDINE OR ITS SALT CIBA-GEIGY CORPORATION (US) 1987-02-17 US disclosed
US-4639531-A HETEROCYCLIC AMIDINE CATALYST CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
US-4511492-A Electrically conducting aromatic azopolymers and method of preparation UOP INC. (US) 1985-04-16 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 (3 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 ALDH1A1 1903/4885MEN1 4796/4885KMT2A 4300/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1270/4885MEN1 2480/4885KMT2A 3900/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP ALDH1A1 1152/4885MEN1 2525/4885KMT2A 3936/4885

“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.