SCHEMBL21944871

SCHEMBL21944871

COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 3/20 0.47
CFTR P13569 1/20 0.47
SCN9A Q15858 7/20 0.47
FPR2 P25090 3/20 0.47
PPARD Q03181 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SDHB P21912 1/20 0.44

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
SCHEMBL18002850 0.86 MAPT (0.48) ADORA3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2259750 0.82 ADORA3 (0.56) ADORA3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL16845409 0.82 SCN9A (0.54) ADORA3MAPTSCN9AFPR2
SCHEMBL3725418 0.81 SCN9A (0.57) ADORA3CASP1SCN9AFPR2
SCHEMBL4265804 0.81 ALDH1A1 (0.57) ADORA3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL18003400 0.80 KDM4E (0.56) SMN1; SMN2ALDH1A1KDM4EHPGDCASP1
SCHEMBL16845408 0.79 SCN9A (0.58) SCN9AFPR2
SCHEMBL15534617 0.78 ADORA3 (0.50) ADORA3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1549339 0.77 CFTR (0.46) ADORA3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3721217 0.77 SCN9A (0.53) ADORA3CASP1SCN9AFPR2

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ADORA3 3071/4885SMN1; SMN2 3834/4885ALDH1A1 1611/4885

“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.