SCHEMBL311783

SCHEMBL311783

Nc1nc2[nH]ccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 1.00
▸ QTRT1 Q9BXR0 1/20 0.50
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TYMS P04818 4/20 0.42
▸ PNP P00491 3/20 0.42
▸ TYMP P19971 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ PARP1 P09874 1/20 0.39

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 SCHEMBL25394322 0.98 DYRK1A (0.96) DYRK1AQTRT1MAPTKDM4EALDH1A1
SCHEMBL14228146 0.78 DYRK1A (0.64) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL7014736 0.77 DYRK1A (0.62) DYRK1AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL15693107 0.77 DYRK1A (0.62) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL28309711 0.77 DYRK1A (0.62) DYRK1AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL7851729 0.77 DYRK1A (0.62) DYRK1AMAPTKDM4EALDH1A1LMNA
SCHEMBL7164003 0.75 DYRK1A (0.60) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL19221872 0.73 DYRK1A (0.58) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL16212529 0.73 DYRK1A (0.57) DYRK1ATYMPGSK3BBACE1ADORA2A
SCHEMBL18961718 0.73 DYRK1A (0.57) DYRK1AMAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188553-B1 COMPOUNDS PROVOST FELLOWS FOUND SCHOLARS & OTHER MEMBERS BOARD COLLEGE HOLY & UND (IE) 2024-05-08 — — EP claimed
CN-116783197-A Compounds of formula (I) 都柏林圣三一学院教务长、研究员、基金会学者及董事会其他成员 2023-09-19 — — CN claimed
WO-2001073438-A1 RICIN INHIBITORS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-10-04 — — WO claimed
US-20250381202-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY ZOUNEK ALEX (DE) 2025-12-18 — — US disclosed
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
CN-116783197-A Compounds of formula (I) 都柏林圣三一学院教务长、研究员、基金会学者及董事会其他成员 2023-09-19 — — CN disclosed
WO-2023060858-A1 MONOCHROMATIC FLUORESCENCE MRT GENE SEQUENCING REAGENT AND METHOD BASED ON ENVIRONMENT-SENSITIVE DYE 深圳铭毅智造科技有限公司 2023-04-20 — — WO disclosed
WO-2023280156-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2023-01-12 — — WO disclosed
US-11548909-B2 Methods of using nucleotide analogues IsoPlexis Corporation (US) 2023-01-10 — — US disclosed
WO-2022261029-A2 PEPTIDE NUCLEIC ACID THERAPEUTICS FOR TRINUCLEOTIDE REPEAT DISORDERS NEUBASE THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
WO-2022261030-A1 OLIGONUCLEOTIDE ANALOGUE MODULATORS OF ONCOGENES NEUBASE THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
EP-0923287-A4 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES LILLY CO ELI (US) 2001-08-01 — — EP disclosed
EP-0923287-A1 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed
WO-1998008382-A1 NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1998-03-05 — — WO disclosed
US-5594121-A DETECT VIRUSES, DISEASES GILEAD SCIENCES, INC. (US) 1997-01-14 — — US disclosed
EP-0695306-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PURINES GILEAD SCIENCES, INC. (US) 1996-02-07 — — EP disclosed
WO-1994024144-A2 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PURINES GILEAD SCIENCES, INC. (US) 1994-10-27 — — WO disclosed
CN-1078235-A Medicinal compound LILLY CO ELI (US) 1993-11-10 — — CN disclosed
EP-0567223-A1 Glutamic acid derivatives as antineoplastic agents ELI LILLY AND COMPANY (US) 1993-10-27 — — EP disclosed
US-5196424-A Antitumor ELI LILLY AND COMPANY (US) 1993-03-23 — — 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-20250381202-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY KIT, CTSL, PAICS DYRK1A 2425/4885QTRT1 1282/4885MAPT 3447/4885
US-11548909-B2 Methods of using nucleotide analogues NT5C3B, SAMHD1, RNGTT DYRK1A 4485/4885QTRT1 472/4885MAPT 4820/4885

“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.

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