SCHEMBL15428838

SCHEMBL15428838

CC1=CCC2CCN(C)CC12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
HTR6 P50406 2/20 0.33
HRH1 P35367 1/20 0.33
ACHE P22303 1/20 0.33
CYP2D6 P10635 3/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL14627262 0.85 SIGMAR1 (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20384109 0.83 MAPT (0.37) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL14594798 0.78 MAPT (0.36) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20384101 0.72 SIGMAR1 (0.35) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL23508979 0.72 SIGMAR1 (0.35) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL15428837 0.71 SIGMAR1 (0.33) SIGMAR1
SCHEMBL6593632 0.69
SCHEMBL14594813 0.67 SIGMAR1 (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21271537 0.66 NCF1 (0.43) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL2279449 0.66 NCF1 (0.43) MAPTKDM4EMEN1ALDH1A1CYP1A2

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 2 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

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-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 MAPT 1444/4885KDM4E 1255/4885MEN1 3557/4885

“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.