SCHEMBL22987464

SCHEMBL22987464

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.52
ALDH1A1 P00352 6/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2R P25116 1/20 0.48
EGFR P00533 1/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29648979 1.00 NLRP3 (0.52) NLRP3ALDH1A1GAAL3MBTL1F2R
SCHEMBL30393661 0.85 GAA (0.42) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL29088318 0.85 NLRP3 (0.49) NLRP3ALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL10885173 0.85 F2R (0.57) NLRP3ALDH1A1F2RHSD17B10KDM4E
SCHEMBL29649048 0.83 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL22987863 0.83 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL7976076 0.83 NLRP3 (0.60) NLRP3ALDH1A1GAAL3MBTL1EGFR
SCHEMBL22987946 0.82 TSHR (0.53) NLRP3ALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL22988091 0.81 NLRP3 (0.62) NLRP3ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22987663 0.81 NLRP3 (0.50) NLRP3ALDH1A1GAAL3MBTL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US 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.