Sugi Predict

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SCHEMBL2298087

SCHEMBL2298087

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(C(F)(F)F)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ DYRK2 Q92630 2/20 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
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 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
SCHEMBL2297784 0.89 TNF (0.31) CDK2
SCHEMBL2299439 0.88 MET (0.33) —
SCHEMBL2300689 0.88 USP7 (0.34) HEXAHEXBCNR1CRHR1
SCHEMBL2299674 0.88 USP7 (0.35) CCNA2CDK2
SCHEMBL2297568 0.86 USP7 (0.32) ADORA1
SCHEMBL2296495 0.86 HRH3 (0.36) ADORA1HRH3
SCHEMBL3399425 0.84 FYN (0.32) —
SCHEMBL2300210 0.84 ELANE (0.37) TRPV3
SCHEMBL2298477 0.83 JAK1 (0.38) HEXAHEXBGABRA2GABRB2CDK2
SCHEMBL2302651 0.83 PGR (0.36) —

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 HEXA 2238/4885HEXB 2374/4885DYRK1A 1340/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 HEXA 2324/4885HEXB 2526/4885DYRK1A 1794/4885

“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.