SCHEMBL4156006

SCHEMBL4156006

N#Cc1cc2c(ccc3sc(NCCO)nc32)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
EGFR P00533 1/20 0.35
IDH1 O75874 6/20 0.33
MAP4K1 Q92918 1/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
MAP2K7 O14733 1/20 0.32
TERT O14746 1/20 0.32
CHUK O15111 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE5A O76074 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL4164023 0.87 ALDH1A1 (0.39) IDH1TERTKDM4EHPGDPIM1
SCHEMBL4154216 0.87 SHMT2 (0.38) IDH1PDE3BPDE3AKDM4ETSHR
SCHEMBL10967371 0.85 PIM1 (0.38) IDH1KDM4EPIM1PIM2
SCHEMBL4157701 0.83 PARP1 (0.42) IDH1KDM4ELMNAHPGD
SCHEMBL4163224 0.83 NPC1 (0.41) IDH1KDM4EHPGDTSHR
SCHEMBL4148683 0.82 ALDH1A1 (0.42) IDH1KDM4ELMNAHPGDPIM1
SCHEMBL4159917 0.81 DYRK1A (0.47)
SCHEMBL4166582 0.79 NPC1 (0.48) EGFRIDH1KDM4EPDE5ATSHR
SCHEMBL4153030 0.77 CSNK2A1 (0.40) PDE3BPDE3AKDM4EPDE5ALMNA
SCHEMBL4168076 0.75 MAPT (0.46) IDH1KDM4E

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-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US disclosed
EP-1713457-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-10-25 EP disclosed
WO-2005077343-A9 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX DELBRUECK CENTRUM (DE) 2005-11-24 WO disclosed
WO-2005077343-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2005-08-25 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 CCNA2 3974/4885CDK2 4085/4885CCNA1 4224/4885

“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.