Sugi Predict

Sugi Predict / Compounds / SCHEMBL1633004

SCHEMBL1633004

SCHEMBL1633004

COC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CRHBP P24387 2/20 0.45
▸ CRHR2 Q13324 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RPS6KB1 P23443 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL1631598 0.90 CSNK2A2 (0.42) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL12725168 0.89 CTSL (0.41) ALDH1A1KDM4EHPGDTDP1NPC1
SCHEMBL12725192 0.88 CTSS (0.41) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1632320 0.88 CTSL (0.41) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL12725232 0.87 KDM4E (0.40) ALDH1A1KDM4EHPGDTDP1NPC1
SCHEMBL1631951 0.87 CTSL (0.37) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1632819 0.87 ADORA2A (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1632908 0.87 NPC1 (0.38) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1630977 0.87 NPC1 (0.38) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL12725180 0.86 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1HSD17B10RPS6KB1

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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — 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 (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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885KDM4E 3309/4885HPGD 1800/4885

“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.