SCHEMBL4156018

SCHEMBL4156018

CC(=O)N(CCN(C)C)c1nc2c(ccc3[nH]c(=O)c(C#N)cc32)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
RAD52 P43351 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
THRB P10828 1/20 0.36
IDE P14735 1/20 0.35

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
SCHEMBL4160720 0.95 HTR2C (0.46) HTR2CRAD52LMNAMAPTNPSR1
SCHEMBL4154240 0.84 PIM1 (0.36) HTR2CLMNAMAPTNPSR1KDM4E
SCHEMBL4157683 0.83 PIM1 (0.37) LMNAKDM4EALDH1A1HTTKMT2A
SCHEMBL13851487 0.81 PIM1 (0.37) RAD52LMNAMAPTNPSR1KDM4E
SCHEMBL4158006 0.81 KDM4E (0.39) RAD52LMNAMAPTNPSR1KDM4E
SCHEMBL13851457 0.81 PIM1 (0.34) HTR2CKDM4EALDH1A1KMT2APIM1
SCHEMBL4161628 0.80 PIM1 (0.38) RAD52LMNAMAPTNPSR1KDM4E
SCHEMBL4157599 0.78 IDH1 (0.35) LMNAKDM4EALDH1A1KMT2APIM1
SCHEMBL4164023 0.77 ALDH1A1 (0.39) RAD52KDM4EALDH1A1HTTKMT2A
SCHEMBL10967371 0.77 PIM1 (0.38) KDM4EPIM1PIM3PIM2

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 6 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-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 HTR2C 2601/4885RAD52 4477/4885LMNA 402/4885

“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.