Sugi Predict

Sugi Predict / Compounds / SCHEMBL2300092

SCHEMBL2300092

SCHEMBL2300092

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(CO)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ FYN P06241 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 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
SCHEMBL3398950 0.91 DPP4 (0.36) TP53MAP4K1TLR8TLR7CDK8
SCHEMBL2299251 0.89 AURKA (0.42) TP53TLR7
SCHEMBL2300121 0.89 TGFBR1 (0.36) TGFBR1TP53TLR8TLR7GABRP
SCHEMBL2302534 0.89 TLR8 (0.44) CYP2C9TP53TLR8GABRPGABRD
SCHEMBL3399430 0.89 GCGR (0.33) PGRGCGRTLR8TLR7PSEN1
SCHEMBL2302606 0.89 GCGR (0.40) TP53GCGRTLR8
SCHEMBL2295859 0.88 TP53 (0.47) TP53TLR8
SCHEMBL2298814 0.87 KDM4E (0.42) TP53GCGRTLR8
SCHEMBL2297390 0.87 TLR8 (0.43) TP53GCGRTLR8
SCHEMBL2297430 0.86 AURKA (0.44) —

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 6 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
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 NR1H2 3171/4885NR1H3 3118/4885CYP2C9 4015/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 NR1H2 2883/4885NR1H3 2832/4885CYP2C9 3920/4885

“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.