SCHEMBL4287559

SCHEMBL4287559

Cc1c(Cl)nc(N)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ALDH1A1 P00352 2/20 0.38
DPP4 P27487 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HSP90AB1 P08238 5/20 0.34
HSP90AA1 P07900 4/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL559332 0.86 KDM4E (0.40) PDE10AADORA2AADORA1ALDH1A1NPSR1
SCHEMBL29308077 0.86 PDE10A (0.52) PDE10AADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL24309857 0.82 PDE10A (0.35) PDE10AADORA2AADORA1ALDH1A1DPP4
SCHEMBL15504765 0.78 ADORA2A (0.37) PDE10AADORA2AADORA1ALDH1A1HSP90AB1
SCHEMBL11585561 0.78 NUDT1 (0.43) PDE10AADORA2AADORA1ALDH1A1NPSR1
SCHEMBL23852245 0.78 TLR8 (0.36) PDE10AADORA2AADORA1ALDH1A1KDM4E
SCHEMBL11059135 0.78 CCNA2 (0.46) PDE10AADORA2AADORA1NPSR1HSP90AB1
SCHEMBL19242058 0.78 HEXA (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL23998054 0.77 HSP90AA1 (0.38) PDE10AADORA2AADORA1ALDH1A1HSP90AB1
SCHEMBL30322567 0.77 HSP90AA1 (0.38) PDE10AADORA2AADORA1ALDH1A1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2680847-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2014-01-08 EP claimed
US-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV EXPERIMENTALNI MEDICINY AKADEMIE VED CR, v.v.i. (CZ) 2013-12-05 US claimed
WO-2012116666-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2012-09-07 WO claimed
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-25 US disclosed
EP-3883576-B1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-17 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-09-16 US disclosed
EP-4558498-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
CN-119546608-A Novel imidazopyridine and pyrazolopyridine sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed
CN-115611867-B (1, 1-Trichloro-2) carbamate derivative and preparation method and application thereof 中南大学 2024-04-30 CN disclosed
US-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV EXPERIMENTALNI MEDICINY AKADEMIE VED CR, v.v.i. (CZ) 2013-12-05 US disclosed
US-8268846-B2 Amino heterocyclic linked pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-09-18 US disclosed
WO-2012116666-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2012-09-07 WO disclosed
US-20100016344-A1 AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-7557209-B2 Process for the preparation of (1S,4R)-cis-4-[2-amino-6-chloro-9H-purin-9-yl]-2-cyclopentene-1-methanol GLAXO GROUP LIMITED (GB) 2009-07-07 US disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20070027316-A1 Process for the preparation of (1s, 4r)-cis-4-'2-amino-6chloro-9h-purin-yl!-2-cyclopentene-1- methanol GLAXO GROUP LIMITED (GB) 2007-02-01 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (7 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-20100016344-A1 AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES DPYD, TYMS, UMPS PDE10A 2220/4885ADORA2A 738/4885ADORA1 1373/4885
US-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT PDE10A 2665/4885ADORA2A 532/4885ADORA1 985/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT PDE10A 2261/4885ADORA2A 448/4885ADORA1 777/4885
US-20130324566-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF PTGIS, PTGS2, PTGES2 PDE10A 576/4885ADORA2A 110/4885ADORA1 215/4885
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2B, ADORA2A, ADORA3 PDE10A 587/4885ADORA2A 2/4885ADORA1 4/4885
US-20070027316-A1 Process for the preparation of (1s, 4r)-cis-4-'2-amino-6chloro-9h-purin-yl!-2-cyclopentene-1- methanol TPMT, UGT1A1, TYMP PDE10A 2359/4885ADORA2A 167/4885ADORA1 172/4885
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 PDE10A 1408/4885ADORA2A 1/4885ADORA1 3/4885

“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.