SCHEMBL22987425

SCHEMBL22987425

COc1ccc(-c2nc3c4ccc(C(F)(F)F)cc4[nH]c(=O)n3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
POLB P06746 2/20 0.68
XDH P47989 1/20 0.57
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RXFP1 Q9HBX9 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 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
SCHEMBL22987594 0.92 KDM4E (0.68) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987532 0.88 KDM4E (0.78) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987848 0.86 ALDH1A1 (0.72) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987433 0.85 KDM4E (0.73) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987431 0.84 KDM4E (0.72) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987895 0.81 KDM4E (0.81) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22979094 0.81 KDM4E (1.00) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22988100 0.81 KDM4E (0.78) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL29646388 0.81 KDM4E (1.00) KDM4EALDH1A1POLBXDHHPGD
SCHEMBL22987427 0.80 NPBWR1 (0.49) KDM4EALDH1A1POLBHPGDHSD17B10

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 KDM4E 1364/4885ALDH1A1 597/4885POLB 4033/4885

“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.