SCHEMBL15032989

SCHEMBL15032989

CCOC(=O)C1(CO)CCC(c2cc(N)n3nccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
PDE10A Q9Y233 1/20 0.38
POLB P06746 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DGAT1 O75907 1/20 0.34
GAA P10253 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL26892 0.80 L3MBTL1 (0.34) L3MBTL1PDE10AKDM4EALDH1A1HPGD
SCHEMBL42979 0.77 CDK2 (0.43) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL7886484 0.74 CDK2 (0.47) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL21498 0.74 CDK2 (0.53) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL7846641 0.73 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL2723907 0.73 CDK2 (0.45) CHEK1CCNA2CDK2CCNA1L3MBTL1
SCHEMBL10236643 0.72 CDK2 (0.51) CHEK1CCNA2CDK2CCNA1L3MBTL1
SCHEMBL585004 0.72 CDK2 (0.51) CHEK1CCNA2CDK2CCNA1L3MBTL1
SCHEMBL583997 0.71 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1L3MBTL1
SCHEMBL1075532 0.71 CDK2 (0.55) CHEK1CCNA2CDK2CCNA1PDE10A

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-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 CHEK1 591/4885CCNA2 2405/4885CDK2 260/4885

“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.