SCHEMBL4164023

SCHEMBL4164023

CN(C)CCCNc1nc2c(ccc3[nH]c(=O)c(C#N)cc32)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
BRD4 O60885 2/20 0.37
ATAD2 Q6PL18 2/20 0.37
TERT O14746 1/20 0.37
PIM1 P11309 5/20 0.37
PIM2 Q9P1W9 5/20 0.37
KDM4E B2RXH2 5/20 0.35
RAD52 P43351 3/20 0.35
KMT2A Q03164 2/20 0.35
PIM3 Q86V86 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDH1 O75874 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL10967371 0.89 PIM1 (0.38) PIM1PIM2KDM4EPIM3IDH1
SCHEMBL4156006 0.87 CCNA2 (0.35) TERTPIM1PIM2KDM4EIDH1
SCHEMBL4154216 0.84 SHMT2 (0.38) PIM1PIM2KDM4EKMT2APIM3
SCHEMBL4161628 0.80 PIM1 (0.38) ALDH1A1PIM1PIM2KDM4ERAD52
SCHEMBL4157701 0.79 PARP1 (0.42) ALDH1A1KDM4EHTTIDH1POLB
SCHEMBL4160720 0.79 HTR2C (0.46) ALDH1A1KDM4ERAD52KMT2AMEN1
SCHEMBL4163224 0.79 NPC1 (0.41) ALDH1A1BRD4KDM4EKMT2AMEN1
SCHEMBL4148683 0.78 ALDH1A1 (0.42) ALDH1A1PKMPIM1KDM4EKMT2A
SCHEMBL13851487 0.78 PIM1 (0.37) ALDH1A1PIM1PIM2KDM4ERAD52
SCHEMBL4157683 0.78 PIM1 (0.37) ALDH1A1PIM1PIM2KDM4EKMT2A

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 9 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
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
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 ALDH1A1 3112/4885PKM 2052/4885BRD4 4335/4885

“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.