SCHEMBL4157599

SCHEMBL4157599

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.35
KDM4E B2RXH2 6/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HPGD P15428 2/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PIM3 Q86V86 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL4157683 0.87 PIM1 (0.37) IDH1KDM4ERXFP1PDE3BPDE3A
SCHEMBL4153030 0.79 CSNK2A1 (0.40) KDM4ERXFP1PDE3BPDE3AHPGD
SCHEMBL13851487 0.79 PIM1 (0.37) KDM4EPIM1PIM2LMNAPIM3
SCHEMBL4166635 0.78 PARP1 (0.36) KDM4EPDE3BPDE3APIM1PIM2
SCHEMBL4154216 0.78 SHMT2 (0.38) IDH1KDM4ERXFP1PDE3BPDE3A
SCHEMBL4154240 0.78 PIM1 (0.36) KDM4EPDE3BPDE3APIM1PIM2
SCHEMBL4156018 0.78 HTR2C (0.51) KDM4EPIM1PIM2LMNAPIM3
SCHEMBL10967371 0.76 PIM1 (0.38) IDH1KDM4ERXFP1PIM1PIM2
SCHEMBL4161628 0.76 PIM1 (0.38) IDH1KDM4EPIM1PIM2LMNA
SCHEMBL4160720 0.75 HTR2C (0.46) KDM4EHPGDLMNAMEN1KMT2A

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-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

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 IDH1 2535/4885KDM4E 4827/4885RXFP1 3425/4885

“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.