SCHEMBL584533

SCHEMBL584533

O=C(O)N1CCC(c2cc(O)n3nccc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CHEK1 O14757 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PDE10A Q9Y233 1/20 0.36
RAD52 P43351 1/20 0.35
IDO1 P14902 1/20 0.35
SCD5 Q86SK9 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR1D P28221 2/20 0.34
HTR3A P46098 2/20 0.34
HTR6 P50406 2/20 0.34
TMEM97 Q5BJF2 2/20 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
SCHEMBL593655 0.86 CDK2 (0.54) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL594986 0.86 PDE10A (0.47) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL14413453 0.85 CHEK1 (0.39) HPGDALDH1A1KDM4ENPSR1CHEK1
SCHEMBL2680289 0.83 GPR119 (0.50) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1023295 0.83 PDE4D (0.42) HPGDALDH1A1HSD17B10POLBBLM
SCHEMBL12953168 0.82 SMN1; SMN2 (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL29152851 0.82 CDK2 (0.50) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL12953163 0.80 CDK2 (0.49) ALDH1A1CHEK1CCNA2CDK2CCNA1
SCHEMBL593570 0.79 TRPV3 (0.47) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1073696 0.78 CDK2 (0.41) 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 4 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
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO 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 HPGD 2087/4885ALDH1A1 3479/4885HSD17B10 3617/4885

“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.