Sugi Predict

Sugi Predict / Compounds / SCHEMBL2298899

SCHEMBL2298899

SCHEMBL2298899

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(OC)cc3F)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ CTSA P10619 1/20 0.37
▸ ERBB2 P04626 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ CRHR1 P34998 2/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ PLA2G2A P14555 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33

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
SCHEMBL2300654 0.91 CRHR1 (0.40) JAK1JAK2JAK3ERBB2TLR8
SCHEMBL2298485 0.84 PDE4B (0.42) JAK1JAK2JAK3ERBB2TLR8
SCHEMBL2297735 0.84 TLR8 (0.39) USP7TLR8CNR2
SCHEMBL2298970 0.83 TLR8 (0.44) JAK1JAK2TLR8GAAMAPT
SCHEMBL2300373 0.82 ICMT (0.36) CTSA
SCHEMBL2301135 0.82 MGLL (0.39) GAAMAPT
SCHEMBL2298897 0.81 USP7 (0.41) USP7JAK1JAK2JAK3CTSA
SCHEMBL2299773 0.80 TLR8 (0.40) TLR8CRHR1GAA
SCHEMBL2300201 0.80 PGR (0.36) PDE4B
SCHEMBL2302653 0.80 GCGR (0.39) USP7CNR2

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-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — 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 (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 USP7 3474/4885JAK1 3337/4885JAK2 3348/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885JAK1 3446/4885JAK2 3478/4885

“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.