SCHEMBL3360033

SCHEMBL3360033

COC(=O)c1cc(F)c(NCCNC(=O)OC(C)(C)C)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
ATR Q13535 1/20 0.41
BCHE P06276 1/20 0.41
LATS1 O95835 1/20 0.41
BRD4 O60885 12/20 0.40
MALT1 Q9UDY8 1/20 0.40
ACVR1B P36896 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL14923405 0.90 STK17B (0.47) STK17BSTK17ABCHELATS1BRD4
SCHEMBL14923410 0.89 STK17B (0.46) STK17BSTK17ABCHELATS1BRD4
SCHEMBL14923406 0.83 ATR (0.35) STK17BSTK17AATRBRD4ACVR1B
SCHEMBL3388507 0.81 STK17B (0.45) STK17BSTK17ABCHELATS1BRD4
SCHEMBL14927568 0.81 KEAP1 (0.39)
SCHEMBL14923415 0.78 PGK1 (0.41)
SCHEMBL14909095 0.78 ATR (0.38) STK17BSTK17AATRBRD4ACVR1B
SCHEMBL11909214 0.77 STK17B (0.67) STK17BSTK17ABCHELATS1BRD4
SCHEMBL1937553 0.75 ROCK2 (0.45) ATR
SCHEMBL1937551 0.75 ROCK2 (0.45) ATR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK STK17B 870/4885STK17A 924/4885ATR 1155/4885

“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.