Sugi Predict

Sugi Predict / Compounds / SCHEMBL1629943

SCHEMBL1629943

SCHEMBL1629943

CC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.42
▸ HTR4 Q13639 2/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ NAPEPLD Q6IQ20 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TYRO3 Q06418 2/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GAS6 Q14393 1/20 0.38

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
SCHEMBL1630900 1.00 HTR2A (0.42) HTR2AHTR4KDM4EHPGDALDH1A1
SCHEMBL1631243 0.95 KDM4E (0.44) HTR2AHTR4KDM4EHPGDALDH1A1
SCHEMBL1632058 0.95 HTR4 (0.43) HTR2AHTR4KDM4EHPGDALDH1A1
SCHEMBL1632978 0.84 ALDH1A1 (0.46) HTR2AHTR4KDM4EHPGDALDH1A1
SCHEMBL1629982 0.84 HCRTR1 (0.46) KDM4EHPGDALDH1A1NAMPTTYRO3
SCHEMBL12724230 0.83 CHRM1 (0.45) KDM4EHPGDALDH1A1NAMPTLMNA
SCHEMBL1629596 0.82 PBK (0.44) KDM4EHPGDALDH1A1NAMPTNPC1
SCHEMBL1630989 0.82 PBK (0.44) KDM4EHPGDALDH1A1NAMPTNPC1
SCHEMBL1629742 0.79 KDM4E (0.53) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL12724210 0.79 LMNA (0.59) KDM4EHPGDALDH1A1NAMPTSMN1; SMN2

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 7 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

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 HTR2A 1335/4885HTR4 1488/4885KDM4E 3309/4885

“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.