SCHEMBL12460577

SCHEMBL12460577

COC(=O)c1nnc(O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
KDM4C Q9H3R0 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
F2 P00734 2/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL21547810 0.78 NPSR1 (0.39) NPSR1KDM4CLMNAALDH1A1HSD17B10
SCHEMBL868038 0.77 TSHR (0.39) NPSR1KDM4CLMNAALDH1A1HSD17B10
SCHEMBL23063364 0.77 NPSR1 (0.38) NPSR1KDM4CLMNAALDH1A1HSD17B10
SCHEMBL2147001 0.77 NPSR1 (0.38) NPSR1KDM4CLMNAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL25427971 0.75 TSHR (0.38) NPSR1KDM4CLMNAALDH1A1HSD17B10
SCHEMBL21621357 0.74 BRD4 (0.32)
SCHEMBL21538964 0.74 ALDH1A1 (0.40) NPSR1KDM4CLMNAALDH1A1HSD17B10
SCHEMBL2147182 0.72 LMNA (0.37) NPSR1LMNAALDH1A1HSD17B10F2
SCHEMBL22165408 0.66 ATR (0.41) LMNAALDH1A1HSD17B10F2MAPT
SCHEMBL2147500 0.66 KDM4E (0.40) KDM4EKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 NPSR1 4336/4885KDM4C 1796/4885LMNA 4194/4885

“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.