SCHEMBL22987427

SCHEMBL22987427

Cn1cc(-c2nc3c4ccc(C(F)(F)F)cc4[nH]c(=O)n3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL22987776 0.85 TP53 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987997 0.84 HAVCR2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22979775 0.82 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29646451 0.82 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987533 0.82 KDM4E (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987994 0.81 XDH (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987425 0.80 KDM4E (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29450027 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987928 0.80 TP53 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22988098 0.79 ADORA3 (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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 NPBWR1 1735/4885GABRP 4551/4885GABRD 4471/4885

“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.