SCHEMBL7976076

SCHEMBL7976076

CCOC(=O)Nc1c(F)cccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 1/20 0.41

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
SCHEMBL2090679 0.85 NLRP3 (0.79) NLRP3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22987863 0.83 NLRP3 (0.60) NLRP3KMT2AALDH1A1GAAL3MBTL1
SCHEMBL29648979 0.83 NLRP3 (0.52) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987464 0.83 NLRP3 (0.52) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL29649048 0.83 NLRP3 (0.60) NLRP3KMT2AALDH1A1GAAL3MBTL1
SCHEMBL25118765 0.83 NLRP3 (0.49) NLRP3MEN1KMT2AALDH1A1GAA
SCHEMBL22987946 0.82 TSHR (0.53) NLRP3KMT2AALDH1A1GAAL3MBTL1
SCHEMBL22988091 0.81 NLRP3 (0.62) NLRP3KMT2AALDH1A1GAAL3MBTL1
SCHEMBL22987663 0.81 NLRP3 (0.50) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL404722 0.81 NLRP3 (0.46) NLRP3MEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 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 (3 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 NLRP3 1299/4885MEN1 3596/4885KMT2A 1977/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 NLRP3 1299/4885MEN1 3596/4885KMT2A 1977/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 NLRP3 98/4885MEN1 1941/4885KMT2A 919/4885

“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.