SCHEMBL22987516

SCHEMBL22987516

CSc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
RXFP1 Q9HBX9 1/20 0.77
GABRP O00591 1/20 0.76
GABRD O14764 1/20 0.76
GABRA1 P14867 1/20 0.76
GABRB1 P18505 1/20 0.76
GABRG2 P18507 1/20 0.76
GABRB3 P28472 1/20 0.76
GABRA5 P31644 1/20 0.76
GABRA3 P34903 1/20 0.76
GABRA2 P47869 1/20 0.76
GABRB2 P47870 1/20 0.76
GABRA4 P48169 1/20 0.76
GABRE P78334 1/20 0.76
GABRA6 Q16445 1/20 0.76
GABRG1 Q8N1C3 1/20 0.76
GABRG3 Q99928 1/20 0.76
GABRQ Q9UN88 1/20 0.76
KDM4E B2RXH2 2/20 0.72

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
SCHEMBL29646386 0.87 TP53 (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22980133 0.87 TP53 (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL10712254 0.87 GABRP (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646479 0.87 GABRP (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL10712450 0.85 GABRP (0.80) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646331 0.85 GABRP (0.80) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646366 0.85 GABRP (0.80) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979789 0.85 GABRP (0.80) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979094 0.84 KDM4E (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646388 0.84 KDM4E (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD

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 2 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
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 TP53 242/4885SMN1; SMN2 4234/4885RXFP1 154/4885

“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.