SCHEMBL21945135

SCHEMBL21945135

C/N=C/c1[nH]nnc1-c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 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
SCHEMBL21945093 0.92 ADORA2A (0.41) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL21945228 0.87 EGFR (0.40) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL21945696 0.86 NPSR1 (0.35) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL21945126 0.86 MAOB (0.46) L3MBTL1MAPTPOLB
SCHEMBL21945096 0.86 AR (0.34) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL21945754 0.85 KIF11 (0.38) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL26070656 0.84 DHODH (0.38) NPSR1CYP2C9CYP2C19CYP1A2MAPT
SCHEMBL21945733 0.82 CYP1A2 (0.38) CYP2C9CYP2C19CYP1A2LMNACYP3A4
SCHEMBL21945706 0.82 ADORA2A (0.34) ADORA2ANPSR1CYP2C9CYP2C19L3MBTL1
SCHEMBL21945192 0.81 MAPT (0.37) SMN1; SMN2MAPTLMNAPOLBPDE4B

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 3683/4885NPSR1 3939/4885CYP2C9 1517/4885

“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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