SCHEMBL2679820

SCHEMBL2679820

COC(=O)C1CCC(c2cc(O)n3nccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
CDK2 P24941 4/20 0.37
CCNA1 P78396 4/20 0.37
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
TNK2 Q07912 2/20 0.37
CCNA2 P20248 3/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CFTR P13569 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 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
SCHEMBL10236624 1.00 PDE10A (0.41) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL10236617 0.93 CDK9 (0.38) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL6893617 0.87 PDE10A (0.37) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL1024592 0.87 PDE10A (0.37) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL585004 0.87 CDK2 (0.51) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL10236643 0.87 CDK2 (0.51) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL583894 0.87 PDE10A (0.43) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL10236625 0.87 PDE10A (0.43) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL1023295 0.85 PDE4D (0.42) PDE10ACDK2CCNA1CCNT1CDK9
SCHEMBL10236616 0.80 CDK2 (0.49) PDE10ACDK2CCNA1CCNT1CDK9

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PDE10A 3001/4885CDK2 165/4885CCNA1 1477/4885

“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.