SCHEMBL18005803

SCHEMBL18005803

N#Cc1[nH]nnc1-c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
KIF11 P52732 1/20 0.36
PGGT1B P53609 2/20 0.36
KIT P10721 5/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
NAAA Q02083 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
BRAF P15056 1/20 0.32
TDP2 O95551 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
UTRN P46939 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLQ O75417 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 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
SCHEMBL18004810 0.95 NOTUM (0.43) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL16399335 0.94 NOTUM (0.41) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL26070487 0.91 NOTUM (0.36) NOTUMPGGT1BKITFNTAFNTB
SCHEMBL18004761 0.88 NOTUM (0.39) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL31622850 0.88 NOTUM (0.39) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL16399012 0.88 NOTUM (0.39) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL18005438 0.88 NOTUM (0.40) NOTUMKIF11PGGT1BKITFNTA
SCHEMBL18004763 0.86 NOTUM (0.37) NOTUMKIF11PGGT1BFNTAFNTB
SCHEMBL18004974 0.85 NOTUM (0.33) NOTUMPGGT1BKITBRAFCTNNB1
SCHEMBL16399280 0.84 PIK3CA (0.35) NOTUMPIK3CAPIK3CGNPC1RAB9A

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 1379/4885KIF11 3245/4885PGGT1B 3728/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885KIF11 3245/4885PGGT1B 3728/4885

“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.