Sugi Predict

Sugi Predict / Compounds / SCHEMBL2301190

SCHEMBL2301190

SCHEMBL2301190

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccccc3C(N)=O)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 2/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ MAPK8 P45983 1/20 0.34
▸ PPARG P37231 4/20 0.33
▸ CSNK1A1 P48729 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL2297731 0.83 HSP90AA1 (0.33) CTSAKDM4E
SCHEMBL2299693 0.82 ALDH1A1 (0.32) —
SCHEMBL3768994 0.81 BACE1 (0.32) BACE1
SCHEMBL2299181 0.81 USP7 (0.38) MAP4K4
SCHEMBL4114786 0.80 L3MBTL1 (0.35) CTSADPP4PPARGKDM4EL3MBTL1
SCHEMBL2301194 0.80 PPARG (0.40) CTSADPP4DPP8PPARG
SCHEMBL3399505 0.80 ATR (0.30) —
SCHEMBL2299859 0.78 LATS1 (0.32) DPP4
SCHEMBL2300187 0.76 KDR (0.37) MAPK8
SCHEMBL2299674 0.76 USP7 (0.35) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 CTSA 2255/4885DPP4 2764/4885DPP8 2749/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CTSA 2050/4885DPP4 2786/4885DPP8 2860/4885

“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.