SCHEMBL22988093

SCHEMBL22988093

COc1ccc(-c2nc3c4cccc(Br)c4[nH]c(=O)n3n2)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
DYRK3 O43781 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
BRCA1 P38398 1/20 0.40
XDH P47989 1/20 0.40
HAVCR2 Q8TDQ0 2/20 0.39
CRHR1 P34998 1/20 0.38
PARP1 P09874 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL22979408 0.87 XDH (0.41) XDHHAVCR2
SCHEMBL29646387 0.87 XDH (0.41) XDHHAVCR2
SCHEMBL22987441 0.86 GABRP (0.41) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL22987480 0.85 KDM4E (0.64) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL22988007 0.80 KDM4E (0.69) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL22987612 0.80 ENPP3 (0.39) KDM4EALDH1A1POLBHPGDCRHR1
SCHEMBL22988015 0.76 XDH (0.41) KDM4EALDH1A1POLBHPGDXDH
SCHEMBL29648974 0.75 F11 (0.32) XDH
SCHEMBL22987947 0.75 GABRP (0.54) KDM4EALDH1A1POLBHSD17B10HPGD
SCHEMBL29645580 0.75 P2RX7 (0.36) KDM4EALDH1A1POLBSMN1; SMN2RXFP1

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.