SCHEMBL21945706

SCHEMBL21945706

C/N=C/c1[nH]nnc1-c1ccc(Oc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL21944826 0.83 PRF1 (0.38) ADORA2ACYP2C9CYP3A4ALDH1A1KDM4E
SCHEMBL21945135 0.82 ADORA2A (0.42) ADORA2ACYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL21945093 0.81 ADORA2A (0.41) ADORA2ACYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL21945754 0.79 KIF11 (0.38) ADORA2ACYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL16399975 0.78 POLB (0.40) ADORA2ACYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL21945137 0.78 HAO1 (0.31) —
SCHEMBL21945228 0.77 EGFR (0.40) ADORA2ACYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL21945283 0.74 NOTUM (0.36) ADORA2A
SCHEMBL21945096 0.73 AR (0.34) ADORA2ACYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL21945696 0.73 NPSR1 (0.35) ADORA2ACYP2C9CYP2C19L3MBTL1LMNA

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-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 ADORA2A 3683/4885CYP2C9 1517/4885CYP2C19 1954/4885

“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.

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