SCHEMBL22260429

SCHEMBL22260429

CC(C)c1ccnc(C(F)(F)F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DYRK1A Q13627 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23970945 0.79 HTT (0.32) HTTNPSR1HSD17B10DYRK1A
SCHEMBL23619725 0.79 AAK1 (0.32) HTTNPSR1HSD17B10DYRK1A
SCHEMBL12263231 0.79 HTT (0.32) HTTNPSR1HSD17B10DYRK1AHRH4
SCHEMBL22260115 0.78 HTT (0.37) HTTHSD17B10DYRK1AHRH4
SCHEMBL21597043 0.75 CCR1 (0.35) HTTALDH1A1HSP90AA1KMT2ANPSR1
SCHEMBL29778842 0.75 CCR1 (0.35) HTTALDH1A1HSP90AA1KMT2ANPSR1
SCHEMBL10297546 0.73 GABRA1 (0.39) HTTHSD17B10HPGD
SCHEMBL25255969 0.72 HTT (0.34) HTTALDH1A1HSP90AA1KMT2ANPSR1
SCHEMBL30510469 0.72 HTT (0.34) HTTALDH1A1HSP90AA1KMT2ANPSR1
SCHEMBL25927992 0.72 HPGD (0.33) HPGDSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 US 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-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES PIK3C3, ERG28, DDT HTT 3813/4885ALDH1A1 3448/4885HSP90AA1 3464/4885

“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.