SCHEMBL1828161

SCHEMBL1828161

Nc1ccnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
ADORA1 P30542 3/20 0.53
ADORA3 P0DMS8 2/20 0.50
ADORA2B P29275 2/20 0.50
POLB P06746 2/20 0.50
AURKA O14965 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PRKACA P17612 1/20 0.48
ASIC3 Q9UHC3 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.45
NOTUM Q6P988 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL30681806 0.84 LTA4H (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12443811 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1018167 0.83 NPC1 (0.47) ADORA2BPOLBHSP90AA1MEN1KMT2A
SCHEMBL27754726 0.81 HSP90AA1 (0.42) HSP90AA1MEN1KMT2AKDM4EGABRA1
Hydrochloric Acid SCHEMBL11514438 0.81 NPC1 (0.46) ADORA2BPOLBHSP90AA1MEN1KMT2A
SCHEMBL2885661 0.80 MEN1 (0.51) POLBASIC3MEN1KMT2ANPC1
SCHEMBL29933915 0.80 CYP2A6 (0.62) POLBHSP90AA1MEN1KMT2AHTT
SCHEMBL4631413 0.80 CYP2A6 (0.62) POLBHSP90AA1MEN1KMT2AHTT
SCHEMBL30681803 0.80 SCN9A (0.46) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL1921676 0.79 NOS2 (0.44) HSP90AA1KDM4EL3MBTL1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1701122-A Crystal structure of PIM-1 kinase PLEXXIKON INC (US) 2005-11-23 CN claimed
CN-1479630-A Methods of inducing cancer cell death and tumor regression Q 2004-03-03 CN claimed
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. 2025-05-08 US disclosed
US-20250127716-A1 INHALED IMATINIB FOR TREATMENT OF PULMONARY HYPERTENSION JUSTUS-LIEBIG-UNIVERSITAET GIESSEN (DE) 2025-04-24 US disclosed
EP-4507745-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS Menning, Mark Michael (US) 2025-02-19 EP disclosed
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 US disclosed
EP-4472609-A1 INHALED IMATINIB FOR TREATMENT OF PULMONARY HYPERTENSION Justus-Liebig-Universität Gießen (DE) 2024-12-11 EP disclosed
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 CN disclosed
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20230330019-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS MENNING MARK MICHAEL (US) 2023-10-19 US disclosed
WO-2023201042-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS MENNING MARK MICHAEL (US) 2023-10-19 WO disclosed
EP-0671881-A4 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. FMC CORP (US) 1996-03-27 EP disclosed
EP-0671881-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1995-09-20 EP disclosed
EP-0650481-A1 PYRIMIDINE COMPOUNDS USED IN THE THERAPY BTG INTERNATIONAL LIMITED (GB) 1995-05-03 EP disclosed
CN-1096156-A 5-replaces-2,4-diaminopyrimidine derivatives insecticide FMC CORP (US) 1994-12-14 CN disclosed
WO-1994012032-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1994-06-09 WO disclosed
WO-1994002469-A1 PYRIMIDINE COMPOUNDS USED IN THE THERAPY BRITISH TECHNOLOGY GROUP LTD. (GB) 1994-02-03 WO disclosed
US-4323681-A IMMUNOMODULATOR AGENTS HAVING STIMULANT OR SUPPRESSANT EFFECT FOR TREATMENT OF AUTOIMMUNE DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1982-04-06 US disclosed
EP-0019811-A1 Pyrimidine compounds, process for their preparation, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed
US-4109092-A FROM PYRIDINYL-CARBOXAMIDINE AND ALPHA-CHLOROACRYLONITRILE STERLING DRUG INC. (US) 1978-08-22 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-20230330019-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS CUTA, SUCLG1, TYR ADORA2A 4799/4885ADORA1 4618/4885ADORA3 4762/4885
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 ADORA2A 3600/4885ADORA1 4528/4885ADORA3 3957/4885
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE TARDBP, TDP2, PSEN2 ADORA2A 963/4885ADORA1 2880/4885ADORA3 2184/4885

“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.