SCHEMBL10237692

SCHEMBL10237692

CCOC(=O)C1CCCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHEK1 O14757 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL10236615 0.89 DGAT1 (0.32) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2679511 0.88 KDM4E (0.33) DGAT1HSD17B10KDM4E
SCHEMBL10237694 0.86 CHEK1 (0.44) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL7883625 0.85 KDM4E (0.30) HSD17B10KDM4E
SCHEMBL7883442 0.84 KDM4E (0.35) DGAT1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10238476 0.84 CHEK1 (0.32) CHEK1CCNA2CDK2CCNA1
SCHEMBL595459 0.83 DGAT1 (0.36) DGAT1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10236649 0.83 DGAT1 (0.36) DGAT1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL583829 0.83 KDM4E (0.39) DGAT1HSD17B10KDM4EALDH1A1
SCHEMBL10254855 0.82 KDM4E (0.36) DGAT1HSD17B10KDM4E

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 DGAT1 3031/4885HSD17B10 3617/4885KDM4E 1448/4885

“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.