Sugi Predict

Sugi Predict / Compounds / SCHEMBL1632058

SCHEMBL1632058

SCHEMBL1632058

CC(=O)N1CCC(CNC(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 4/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ TYRO3 Q06418 2/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ GAS6 Q14393 1/20 0.42
▸ HTR3A P46098 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ DKK1 O94907 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 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
SCHEMBL1629943 0.95 HTR2A (0.42) HTR4HTR2ATYRO3FLT3MERTK
SCHEMBL1630900 0.95 HTR2A (0.42) HTR4HTR2ATYRO3FLT3MERTK
SCHEMBL1631243 0.90 KDM4E (0.44) HTR4HTR2AKDM4EHPGDALDH1A1
SCHEMBL12724230 0.86 CHRM1 (0.45) KDM4EHPGDNAMPTHIF1AALDH1A1
SCHEMBL1629982 0.85 HCRTR1 (0.46) TYRO3KDM4EHPGDNAMPTALDH1A1
SCHEMBL1630989 0.83 PBK (0.44) TYRO3KDM4EHPGDNAMPTHIF1A
SCHEMBL1629596 0.83 PBK (0.44) TYRO3KDM4EHPGDNAMPTHIF1A
SCHEMBL1632978 0.83 ALDH1A1 (0.46) HTR4HTR2ATYRO3HTR3AIRAK4
SCHEMBL12724210 0.80 LMNA (0.59) KDM4EHPGDNAMPTHIF1AALDH1A1
SCHEMBL1629532 0.80 ALDH1A1 (0.54) KDM4EHPGDALDH1A1

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-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US claimed
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 HTR4 1488/4885HTR2A 1335/4885TYRO3 3408/4885

“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.