SCHEMBL3277524

SCHEMBL3277524

Clc1nc(Cl)c2[nH]nnc2n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL16336029 0.78
SCHEMBL4052700 0.78 DPP4 (0.48)
SCHEMBL28484688 0.68 ALPL (0.33) ALDH1A1TSHR
SCHEMBL5376356 0.65 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL3444433 0.64 ALDH1A1 (0.30) ALDH1A1ALOX15TSHR
SCHEMBL10617985 0.62 PNP (0.48) ALDH1A1ALOX15
SCHEMBL29495248 0.62 NUDT1 (0.39)
SCHEMBL37384 0.62 DPP4 (0.66) ALDH1A1
SCHEMBL7456301 0.62
SCHEMBL11456967 0.61 DPP4 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249113-A1 Fungicidal Mixtures BASF AKITENGESELLSCHAFT (DE) 2008-10-09 US claimed
CN-1993050-A Fungicidal synergistic mixtures from triazolopyrimidine derivatives BASF AG (DE) 2007-07-04 CN claimed
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 US disclosed
EP-4136089-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES The Trustees of The University of Pennsylvania (US) 2023-02-22 EP disclosed
CN-115397826-A Substituted {1,2,4, } triazolo {1,5-a } pyrimidine compounds and their use for the stabilization of microtubules 宾夕法尼亚大学理事会 2022-11-25 CN disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 WO disclosed
WO-2015162630-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO [4,5-D]- PYRIMIDINES, INCLUDING TICAGRELOR, VIANEW INTERMEDIATES AND NEW ROUTE OF SYNTHESIS. ANLON CHEMICAL RESEARCH ORGANIZATION (IN) 2015-10-29 WO disclosed
WO-2014206187-A1 PREPARATION METHOD OF TICAGRELOR AND INTERMEDIATES THEREOF 苏州明锐医药科技有限公司 (CN) 2014-12-31 WO disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
CN-1738822-A Fungicidal triazolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said fungicidal triazolopyrimidines BASF AG (DE) 2006-02-22 CN disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed
EP-0770615-B1 Process for the preparation of dihaloazolopyrimidines BASF AG (DE) 2003-06-18 EP disclosed
US-5808066-A CYCLIZATION REACTION OF 5-AMINO-(1H)-1,2,4-TRIAZOLE WITH MALONIC ACID DIESTER; SALT FORMATION, ACIDIFICATION, HALOGENATION AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
EP-0770615-A1 Process for the preparation of dihaloazolopyrimidines American Cyanamid Company (US) 1997-05-02 EP disclosed
EP-0673376-B1 BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR (FR) 1996-05-22 EP disclosed
US-5508277-A Bicyclic pyrimidines ADIR ET COMPAGNIE (FR) 1996-04-16 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 (4 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-20080249113-A1 Fungicidal Mixtures ARSA, DDT, AZI2 ALDH1A1 498/4885ALOX15 3271/4885TSHR 2347/4885
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 ALDH1A1 2113/4885ALOX15 4413/4885TSHR 4078/4885
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP ALDH1A1 532/4885ALOX15 1500/4885TSHR 4449/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 ALDH1A1 2467/4885ALOX15 1017/4885TSHR 2431/4885

“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.