SCHEMBL18004159

SCHEMBL18004159

Cc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2nn[nH]c2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SHMT1 P34896 2/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ DAO P14920 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
SCHEMBL18004377 0.91 CTSS (0.38) NOTUMCTSSCTSKIKBKBDAO
SCHEMBL18003986 0.91 IDH1 (0.36) NOTUMCTSSCTSKDAO
SCHEMBL18004255 0.90 POLB (0.37) CTSSCTSKDAO
SCHEMBL18004215 0.88 NOTUM (0.41) NOTUMCTSSCTSKSHMT1IKBKB
SCHEMBL26070226 0.88 NOTUM (0.44) NOTUMCTSSCTSKIKBKB
SCHEMBL18004508 0.85 NOTUM (0.35) NOTUMCTSSCTSKIKBKB
SCHEMBL18004264 0.84 RXRA (0.36) CTSSCTSKDAO
SCHEMBL18004163 0.84 QPCT (0.32) NOTUM
SCHEMBL18004375 0.83 MEN1 (0.37) CTSSCTSKDAO
SCHEMBL18004177 0.83 MRGPRX4 (0.33) NOTUMCTSSCTSK

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 3 patents. 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
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 1379/4885CTSS 2273/4885CTSK 2390/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885CTSS 2273/4885CTSK 2390/4885

“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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