SCHEMBL11084100

SCHEMBL11084100

CCOC(=O)c1nc2c3ccccc3[nH]c(=O)n2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.65
HAVCR2 Q8TDQ0 2/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52

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
SCHEMBL29646349 1.00 ADORA3 (0.65) ADORA3HAVCR2HSD17B10SMN1; SMN2TP53
SCHEMBL11083902 0.86 ADORA3 (0.66) ADORA3HAVCR2SMN1; SMN2TP53KDM4E
SCHEMBL11083389 0.86 ADORA3 (0.66) ADORA3HAVCR2HSD17B10SMN1; SMN2TP53
SCHEMBL11090900 0.85 HAVCR2 (0.55) ADORA3HAVCR2HSD17B10SMN1; SMN2TP53
SCHEMBL11090747 0.84 ADORA3 (0.67) ADORA3HAVCR2
SCHEMBL11087253 0.83 ADORA3 (0.54) ADORA3HAVCR2
SCHEMBL11172982 0.82 HAVCR2 (0.60) ADORA3HAVCR2HSD17B10SMN1; SMN2TP53
SCHEMBL11091993 0.82 GABRP (0.56) ADORA3HAVCR2HSD17B10SMN1; SMN2TP53
SCHEMBL11085272 0.82 ADORA3 (0.57) ADORA3
SCHEMBL11085153 0.82 ADORA3 (0.50) ADORA3

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
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
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 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 (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 ADORA3 34/4885HAVCR2 1004/4885HSD17B10 3997/4885

“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.