SCHEMBL2103668

SCHEMBL2103668

CON(C)C(=O)c1nc(-c2ccc(C([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(C)(C)C)cc2)cn1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3222983 0.84 ATM (0.39) JAK3BTKCASP3SENP8SENP7
SCHEMBL2103666 0.78 MEN1 (0.37) JAK3BTKCTSSCTSKITGA4
SCHEMBL13162785 0.78 MEN1 (0.37) JAK3BTKCTSSCTSKITGA4
SCHEMBL10215115 0.77 ITGA4 (0.39) JAK3BTKCTSSCTSKGPR119
SCHEMBL2617430 0.77 ITGA4 (0.39) JAK3BTKCTSSCTSKGPR119
SCHEMBL2103672 0.76 ITGA4 (0.39) JAK3BTKCTSSCTSKITGA4
SCHEMBL2105674 0.75 ALDH1A1 (0.46)
SCHEMBL4794108 0.74 ITGA4 (0.34) JAK3BTKCTSSCTSKITGA4
SCHEMBL2631416 0.74 ATM (0.38) JAK3BTKCTSSCTSKITGA4
SCHEMBL2617422 0.72 ATM (0.38) JAK3BTKCTSSCTSKITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 JAK3 3389/4885BTK 4368/4885CASP3 2838/4885

“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.