SCHEMBL22987403

SCHEMBL22987403

CCOC(=O)Nc1cccc(Br)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
NLRP3 Q96P20 3/20 0.52
F2R P25116 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
PTPN1 P18031 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 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
SCHEMBL29649042 1.00 ALDH1A1 (0.52) ALDH1A1HPGDNLRP3F2RCYP1A2
SCHEMBL28738833 0.86 ALDH1A1 (0.55) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL7503373 0.83 ALDH1A1 (0.52) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL7507310 0.83 ALDH1A1 (0.68) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL29649017 0.83 ALDH1A1 (0.68) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL22987460 0.82 L3MBTL1 (0.53) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL12225059 0.81 CYP1A2 (0.48) ALDH1A1HPGDNLRP3F2RCYP1A2
SCHEMBL22979409 0.81 PRMT5 (0.48) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL1188292 0.81 ALDH1A1 (0.62) ALDH1A1HPGDNLRP3F2RCYP1A2
SCHEMBL22987877 0.80 NLRP3 (0.49) ALDH1A1HPGDNLRP3CYP1A2CYP2C9

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 4 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
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 ALDH1A1 597/4885HPGD 568/4885NLRP3 98/4885

“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.