SCHEMBL5025909

SCHEMBL5025909

Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)c(F)cc2C#N)sn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ BTK Q06187 2/20 0.33
▸ AAK1 Q2M2I8 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ FPR1 P21462 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ FER P16591 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL10250525 0.86 FER (0.40) SYKHDAC4HDAC6BTKAAK1
SCHEMBL5026841 0.86 SYK (0.38) SYKHDAC4HDAC6BTKAAK1
SCHEMBL5025898 0.85 SYK (0.46) SYKHDAC4HDAC6BTKJAK3
SCHEMBL5025904 0.80 SYK (0.40) SYKHDAC4HDAC6BTKAAK1
SCHEMBL18925508 0.80 SYK (0.40) SYKHDAC4HDAC6BTKAAK1
SCHEMBL18925505 0.76 SYK (0.36) SYKHDAC4HDAC6BTKAAK1
SCHEMBL5026842 0.75 SYK (0.49) SYKHDAC4HDAC6BTKJAK3
SCHEMBL9279090 0.73 FER (0.39) SYKBTKJAK3FER
SCHEMBL9279102 0.73 FER (0.39) SYKBTKJAK3FER
SCHEMBL29707774 0.72 JAK3 (0.41) SYKHDAC4HDAC6BTKAAK1

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 14 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
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-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-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-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-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
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — 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 (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 SYK 1/4885HDAC4 304/4885HDAC6 138/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SYK 1/4885HDAC4 304/4885HDAC6 138/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SYK 1/4885HDAC4 304/4885HDAC6 138/4885

“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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