SCHEMBL2148285

SCHEMBL2148285

O=C(O)c1nnc(N2CCOCC2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KMO O15229 2/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL3111658 0.85 HTT (0.46) POLBPIK3CAPIK3CBPIM1ALDH1A1
SCHEMBL2147106 0.81 ALDH1A1 (0.44) POLBPIK3CAPIK3CBPIM1ALDH1A1
SCHEMBL12461671 0.79 HTR3A (0.40) PIM1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3111664 0.71 GAA (0.46) POLBPIK3CAPIM1ALDH1A1TSHR
SCHEMBL27810931 0.67 KMT2A (0.48) POLBKMOPIK3CAPIK3CBALDH1A1
SCHEMBL26130480 0.66 PIK3CB (0.43) POLBPIK3CAPIK3CBPIM1ALDH1A1
SCHEMBL18123334 0.64 POLB (0.38) POLBPIK3CAPIK3CBPIK3CDALDH1A1
SCHEMBL898825 0.63 POLB (0.47) POLBKMOPIK3CAPIK3CBPIK3CD
SCHEMBL14334236 0.62 KMT2A (0.43) POLBKMOALDH1A1TSHRKDM4E
SCHEMBL15733180 0.62 HTT (0.47) POLBKMOPIK3CAALDH1A1TSHR

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 POLB 1987/4885KMO 2712/4885PIK3CA 23/4885

“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.

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