SCHEMBL22988015

SCHEMBL22988015

O=c1[nH]c2c(C(F)(F)F)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22987646 0.89 XDH (0.39) XDHADORA3HAVCR2
SCHEMBL29646335 0.89 XDH (0.39) XDHADORA3HAVCR2
SCHEMBL22979408 0.89 XDH (0.41) XDHADORA3HAVCR2
SCHEMBL29646387 0.89 XDH (0.41) XDHADORA3HAVCR2
SCHEMBL22987828 0.84 GABRP (0.54) ADORA3HAVCR2KDM4EALDH1A1POLB
SCHEMBL22987735 0.82 XDH (0.55) XDHKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL22987642 0.81 HSD11B1 (0.36) KDM4E
SCHEMBL22987826 0.78 GABRP (0.53) ADORA3HAVCR2KDM4EALDH1A1POLB
SCHEMBL22987718 0.77 SMN1; SMN2 (0.40) XDHHAVCR2KDM4EMEN1ALDH1A1
SCHEMBL22988093 0.76 KDM4E (0.46) XDHHAVCR2KDM4EALDH1A1POLB

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 XDH 1545/4885ADORA3 34/4885HAVCR2 1004/4885

“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.