SCHEMBL14627262

SCHEMBL14627262

CC1=CCC2CN(C)CCC12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 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
SCHEMBL15428838 0.85 MAPT (0.38) SIGMAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14594813 0.78 SIGMAR1 (0.41) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL23508979 0.72 SIGMAR1 (0.35) SIGMAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20384101 0.72 SIGMAR1 (0.35) SIGMAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20384109 0.72 MAPT (0.37) SIGMAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL6593632 0.69
SCHEMBL14594798 0.67 MAPT (0.36) SIGMAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL20258331 0.67 LMNA (0.40) SIGMAR1MEN1CYP3A4ALOX15KMT2A
SCHEMBL22305046 0.67 LMNA (0.40) SIGMAR1MEN1CYP3A4ALOX15KMT2A
SCHEMBL23386045 0.67 SIGMAR1 (0.51) SIGMAR1MAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 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 (2 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-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 SIGMAR1 4607/4885MAPT 1300/4885KDM4E 1549/4885
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 SIGMAR1 4677/4885MAPT 1444/4885KDM4E 1255/4885

“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.