SCHEMBL22987965

SCHEMBL22987965

CCOC(=O)Nc1c(C#N)cccc1SCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.49
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL22987663 0.88 NLRP3 (0.50) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22979101 0.87 GAA (0.41) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987606 0.85 NLRP3 (0.47) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL29648979 0.80 NLRP3 (0.52) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL29649048 0.80 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL7976076 0.80 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987863 0.80 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987464 0.80 NLRP3 (0.52) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987946 0.79 TSHR (0.53) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22988091 0.78 NLRP3 (0.62) NLRP3ALDH1A1GAAL3MBTL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO 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 (1 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 NLRP3 98/4885ALDH1A1 597/4885GAA 3740/4885

“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.