SCHEMBL18005266

SCHEMBL18005266

CCc1oc(-c2ccc(OC(F)(F)F)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TRPA1 O75762 2/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
TARBP2 Q15633 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KDM5A P29375 1/20 0.35
PTPN1 P18031 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
DHODH Q02127 1/20 0.34
CHRNA7 P36544 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL18005453 0.88 CTSS (0.44) NPSR1TRPA1KDM5AKDM4EHPGD
SCHEMBL18005364 0.87 NPSR1 (0.45) NOTUMNPSR1TRPA1SUCNR1TARBP2
SCHEMBL18005502 0.86 NOTUM (0.37) NOTUMNPSR1PTPN1HSD17B10KDM4E
SCHEMBL16398549 0.85 KDM5A (0.41) NOTUMNPSR1TRPA1SUCNR1SCN5A
SCHEMBL18005253 0.82 KDM4E (0.41) NOTUMNPSR1TARBP2HSD17B10KDM4E
SCHEMBL18005272 0.82 NOTUM (0.39) NOTUMNPSR1TRPA1SUCNR1SCN5A
SCHEMBL18005370 0.80 KCNH2 (0.34)
SCHEMBL1249328 0.79 SCN5A (0.49) NOTUMTRPA1SCN5ASCN9AKDM5A
SCHEMBL18005333 0.78 NOTUM (0.41) NOTUMKDM4EALDH1A1
SCHEMBL18006080 0.78 SCN5A (0.48) NOTUMTRPA1SCN5ASCN9AKDM5A

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 4 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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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 NOTUM 1379/4885NPSR1 3939/4885TRPA1 3643/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885NPSR1 3939/4885TRPA1 3643/4885

“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.