SCHEMBL9108450

SCHEMBL9108450

CCCC(Nc1nc(Nc2cc(C)ns2)c(C(N)=O)cc1F)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.37
JAK3 P52333 4/20 0.37
LCK P06239 3/20 0.37
SYK P43405 12/20 0.36
EGFR P00533 1/20 0.33
TLR8 Q9NR97 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL5027979 1.00 BTK (0.37) BTKJAK3LCKSYKEGFR
SCHEMBL9106133 0.92 SYK (0.39) BTKJAK3LCKSYKEGFR
SCHEMBL9106123 0.92 SYK (0.39) BTKJAK3LCKSYKEGFR
SCHEMBL2728855 0.86 BTK (0.37) BTKJAK3LCKSYKEGFR
SCHEMBL2728860 0.86 BTK (0.37) BTKJAK3LCKSYKEGFR
SCHEMBL10272242 0.84 BTK (0.33) BTKJAK3LCKSYKIRAK4
SCHEMBL19901787 0.84 BTK (0.33) BTKJAK3LCKSYKIRAK4
SCHEMBL2726916 0.80 BTK (0.38) BTKJAK3LCKSYKEGFR
SCHEMBL2726912 0.80 BTK (0.38) BTKJAK3LCKSYKEGFR
SCHEMBL19901791 0.76 SYK (0.35) BTKJAK3LCKSYKIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 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 (3 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK BTK 2/4885JAK3 258/4885LCK 25/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK BTK 2/4885JAK3 258/4885LCK 25/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK BTK 2/4885JAK3 258/4885LCK 25/4885

“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.