SCHEMBL21945093

SCHEMBL21945093

C/N=C/c1[nH]nnc1-c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TTBK1 Q5TCY1 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ TTBK2 Q6IQ55 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 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
SCHEMBL21945135 0.92 ADORA2A (0.42) ADORA2AKIF11BTKSMN1; SMN2CYP2C9
SCHEMBL21945754 0.86 KIF11 (0.38) ADORA2AKIF11BTKSMN1; SMN2CYP2C9
SCHEMBL21945228 0.86 EGFR (0.40) ADORA2ACYP2C9CYP2C19L3MBTL1NPSR1
SCHEMBL21945696 0.85 NPSR1 (0.35) ADORA2ABTKSMN1; SMN2CYP2C9CYP2C19
SCHEMBL21945096 0.83 AR (0.34) ADORA2AKIF11CYP2C9CYP2C19L3MBTL1
SCHEMBL21945706 0.81 ADORA2A (0.34) ADORA2AKIF11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL26070656 0.81 DHODH (0.38) BTKCYP2C9CYP2C19NPSR1CYP1A2
SCHEMBL21945094 0.81 TLR8 (0.34) MAPTLTA4HALDH1A1KDM4ELMNA
SCHEMBL21945229 0.78 LTA4H (0.39) CYP2C9NPSR1LTA4H
SCHEMBL21945164 0.77 MAOB (0.42) CYP1A2CYP3A4ALDH1A1KDM4E

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 3683/4885KIF11 3245/4885CHEK2 747/4885

“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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