SCHEMBL22987776

SCHEMBL22987776

Cc1ccc2c(c1)[nH]c(=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
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
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
XDH P47989 1/20 0.49

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
SCHEMBL22987928 0.92 TP53 (0.58) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987997 0.88 HAVCR2 (0.52) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646451 0.86 GABRP (0.70) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979775 0.86 GABRP (0.70) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987533 0.86 KDM4E (0.62) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987427 0.85 NPBWR1 (0.49) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29450027 0.83 GABRP (0.53) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987994 0.82 XDH (0.49) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22988098 0.82 ADORA3 (0.59) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987896 0.81 KDM4E (0.69) 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.