SCHEMBL2147001

SCHEMBL2147001

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.34
F2 P00734 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2147297 0.81 LMNA (0.33) LMNAKDM4ECA1CA2HPGD
SCHEMBL21547810 0.77 NPSR1 (0.39) NPSR1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL12460577 0.77 NPSR1 (0.39) NPSR1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL21538964 0.76 ALDH1A1 (0.40) NPSR1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL23063364 0.75 NPSR1 (0.38) NPSR1ALDH1A1HSD17B10LMNAKDM4E
Hydrochloric Acid SCHEMBL25427971 0.73 TSHR (0.38) NPSR1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL22680658 0.72
SCHEMBL2147182 0.71 LMNA (0.37) NPSR1ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL22165408 0.65 ATR (0.41) ALDH1A1HSD17B10LMNAF2MAPT
SCHEMBL2147500 0.65 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 8 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-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
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
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 4336/4885ALDH1A1 2634/4885HSD17B10 4456/4885

“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.