SCHEMBL335977

SCHEMBL335977

Nc1cccn2ccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.58
SMPD3 Q9NY59 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
KMT2A Q03164 2/20 0.39
RELA Q04206 2/20 0.39
ADORA2A P29274 2/20 0.39
DHFR P00374 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAP4K4 O95819 1/20 0.35
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL8374910 0.98 NUDT1 (0.56) NUDT1SMPD3SMN1; SMN2KDM4EMEN1
SCHEMBL5488762 0.82 SMPD3 (0.48) NUDT1SMPD3SMN1; SMN2KDM4EMEN1
SCHEMBL29629473 0.82 MAPK10 (0.45) NUDT1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL418310 0.77 NUDT1 (0.46) NUDT1ADORA2AL3MBTL1DYRK1A
SCHEMBL2652721 0.76 NUDT1 (0.45) NUDT1KDM4EADORA2AL3MBTL1ALOX15
SCHEMBL1507164 0.76 NUDT1 (0.45) NUDT1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL3107190 0.76 NUDT1 (0.45) NUDT1ADORA2AL3MBTL1ALOX15AKT1
SCHEMBL1041231 0.76 NUDT1 (0.45) NUDT1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL9113922 0.76 NUDT1 (0.45) NUDT1ADORA2AL3MBTL1ALOX15AKT1
SCHEMBL3118180 0.76 NUDT1 (0.45) NUDT1ADORA2AL3MBTL1ALOX15DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983411-B1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD (IN) 2026-05-27 EP claimed
WO-2014075317-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2014-05-22 WO claimed
EP-0930062-A1 Compositions containing imidazo-pyridine derivatives for dying keratinous fibres and process L'OREAL (FR) 1999-07-21 EP claimed
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 CN disclosed
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-15 US disclosed
CN-114829344-B Pyrimidine derivatives and pharmaceutical compositions containing the same 韩国化学研究院 2024-08-13 CN disclosed
CN-118063491-A Imide catalyst auxiliary agent, polyimide film and preparation method 中国科学院化学研究所 2024-05-24 CN disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
EP-3082867-B1 ISOXAZOLINE COMPOSITIONS AND USE THEREOF IN THE PREVENTION OR TREATMENT OF PARASITE INFESTATIONS IN ANIMALS INTERVET INT BV (NL) 2024-01-17 EP disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-6197783-B1 THERAPY FOR GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-06 US disclosed
WO-2000017200-A1 TETRAHYDROPYRIDOETHERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-30 WO disclosed
EP-0971922-A1 TETRAHYDROPYRIDO COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-19 EP disclosed
US-5980585-A NONTOXIC; HAIR DYE L'OREAL (FR) 1999-11-09 US disclosed
US-5942493-A LH-RH antagonists having improved action ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
EP-0930062-A1 Compositions containing imidazo-pyridine derivatives for dying keratinous fibres and process L'OREAL (FR) 1999-07-21 EP disclosed
EP-0876337-A2 NEW LH-RH ANTAGONISTS WITH IMPROVED EFFECTIVENESS ASTA Medica Aktiengesellschaft (DE) 1998-11-11 EP disclosed
WO-1998042707-A1 TETRAHYDROPYRIDO COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-10-01 WO disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO 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-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 NUDT1 178/4885SMPD3 2029/4885SMN1; SMN2 1455/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 NUDT1 178/4885SMPD3 2029/4885SMN1; SMN2 1455/4885

“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.