SCHEMBL2419320

SCHEMBL2419320

N#Cc1ccc(C#N)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
USP2 O75604 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2A6 P11509 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
STS P08842 1/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL3440802 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EGAAIMPDH2IMPDH1
SCHEMBL30702253 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EGAAIMPDH2IMPDH1
SCHEMBL11277214 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAIMPDH2IMPDH1
SCHEMBL352155 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAIMPDH2IMPDH1
SCHEMBL29443092 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAIMPDH2IMPDH1
Nitrogen SCHEMBL29003750 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EGAAIMPDH2IMPDH1
SCHEMBL30799696 0.78 KDM4E (0.55) ALDH1A1KDM4EGAAUSP2HTT
SCHEMBL5070146 0.78 MEN1 (0.48) ALDH1A1KDM4EGAAUSP2HTT
SCHEMBL2028221 0.78 KDM4E (0.55) ALDH1A1KDM4EGAAUSP2HTT
Ammonia Solution, Strong SCHEMBL5952367 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAAIMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113522052-B Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-16 CN claimed
CN-113522052-A Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2021-10-22 CN claimed
CN-106946800-A A kind of synthetic method of (1H, the 3H) diketone of quinazoline 2,4 and its derivative 华东师范大学 2017-07-14 CN claimed
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
CN-113522052-B Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-16 CN disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 US disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 US disclosed
CN-113522052-A Composite hollow fiber membrane and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2021-10-22 CN disclosed
CN-113166158-A 7-, 8-and 10-substituted aminotriazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof 默沙东公司 2021-07-23 CN disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
US-3993619-A AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 US disclosed
US-3954398-A Polyester fibers dyed with a disazo disperse dyestuff CIBA-GEIGY AG (CH) 1976-05-04 US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3943120-A WATER INSOLUBLE CIBA-GEIGY AG (CH) 1976-03-09 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-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 ALDH1A1 1156/4885KDM4E 3280/4885GAA 2926/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 ALDH1A1 1156/4885KDM4E 3280/4885GAA 2926/4885

“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.