SCHEMBL1318655

SCHEMBL1318655

CNc1nc(Cl)cc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
PDE4A P27815 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ADORA1 P30542 2/20 0.35
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IDH2 P48735 1/20 0.33
TRIM58 Q8NG06 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
SCHEMBL1672474 0.85 POLB (0.50) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL12106760 0.84 MAPT (0.45) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL12963409 0.80 CYP1A2 (0.47) CYP1A2LMNAALDH1A1
SCHEMBL11359398 0.80 MAPT (0.39) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL19687211 0.79 S1PR2 (0.32) S1PR2ALDH1A1
SCHEMBL10102118 0.79 HSP90AB1 (0.36) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL11419164 0.77 POLB (0.33) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL3473073 0.76 TDP1 (0.76) MAPTTDP1LMNAADORA1ALDH1A1
SCHEMBL7934015 0.76 PGK1 (0.35) POLBMAPTCACNA1BAPBA1PDE4A
SCHEMBL13111256 0.74 TDP1 (0.53) MAPTCYP2C19TDP1LMNAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124810-B1 NEW PYRIMIDINE DERIVATIVES ENDOWED WITH ANTIVIRAL ACTIVITY Gatti, Daniele (IT) 1987-04-01 EP claimed
US-4629729-A Endowed with anti-viral activity 2-alkylamino-4,6-dihalo pyrimidines GATTI DANIELE (IT) 1986-12-16 US claimed
EP-0124810-A1 New pyrimidine derivatives endowed with antiviral activity Gatti, Daniele (IT) 1984-11-14 EP claimed
US-20230271964-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-08-31 US disclosed
WO-2020206080-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-08 WO disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 US disclosed
WO-2017184462-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-26 WO disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
EP-2536410-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2015-09-23 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
CN-1170574-A Sulfonamides and their use HOFFMANN LA ROCHE (CH) 1998-01-21 CN disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed
EP-0124810-B1 NEW PYRIMIDINE DERIVATIVES ENDOWED WITH ANTIVIRAL ACTIVITY Gatti, Daniele (IT) 1987-04-01 EP disclosed
US-4629729-A Endowed with anti-viral activity 2-alkylamino-4,6-dihalo pyrimidines GATTI DANIELE (IT) 1986-12-16 US disclosed
EP-0124810-A1 New pyrimidine derivatives endowed with antiviral activity Gatti, Daniele (IT) 1984-11-14 EP disclosed
US-RE31136-E Herbicidal 5-pyrimidinecarbonitriles FMC CORPORATION (US) 1983-02-01 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-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 POLB 4041/4885MAPT 4171/4885CACNA1B 4596/4885
US-20230271964-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 POLB 1390/4885MAPT 2570/4885CACNA1B 2186/4885

“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.