SCHEMBL5233328

SCHEMBL5233328

CC(=C(C#N)C(N)=S)N1CCCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
PANK3 Q9H999 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
DPP4 P27487 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 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
SCHEMBL5233318 1.00 KDM4E (0.43) KDM4ETP53PANK3CTSSCTSK
SCHEMBL5229612 0.88 MAPT (0.40) KDM4EALDH1A1MAPTHPGDGRIN2D
SCHEMBL5229622 0.88 MAPT (0.40) KDM4EALDH1A1MAPTHPGDGRIN2D
SCHEMBL5232966 0.88 MAPT (0.48) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5232969 0.88 MAPT (0.48) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5232955 0.88 ALDH1A1 (0.44) KDM4ETP53CTSSCTSKALDH1A1
SCHEMBL5232962 0.88 ALDH1A1 (0.44) KDM4ETP53CTSSCTSKALDH1A1
SCHEMBL5235602 0.88 AKR1C3 (0.44) KDM4ECTSSCTSKALDH1A1MAPT
SCHEMBL5235613 0.88 AKR1C3 (0.44) KDM4ECTSSCTSKALDH1A1MAPT
SCHEMBL5231664 0.86 ALDH1A1 (0.47) KDM4EPANK3ALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 KDM4E 1851/4885TP53 2363/4885PANK3 2590/4885

“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.