SCHEMBL2147106

SCHEMBL2147106

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ PIM1 P11309 1/20 0.41
▸ TSHR P16473 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALOX15 P16050 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL2147500 0.83 KDM4E (0.40) PIM1KDM4EMEN1KMT2A
SCHEMBL2148285 0.81 POLB (0.42) ALDH1A1PIM1TSHRHSD17B10KDM4E
SCHEMBL3111658 0.80 HTT (0.46) ALDH1A1PIM1TSHRHSD17B10KDM4E
SCHEMBL2146977 0.75 KCNH2 (0.45) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL3111664 0.66 GAA (0.46) ALDH1A1PIM1TSHRHSD17B10KDM4E
SCHEMBL10288078 0.66 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10KDM4EMEN1
SCHEMBL25770001 0.66 CNR2 (0.55) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL21547810 0.65 NPSR1 (0.39) ALDH1A1TSHRHSD17B10KDM4EKMT2A
SCHEMBL12460577 0.65 NPSR1 (0.39) ALDH1A1TSHRHSD17B10KDM4EKMT2A
SCHEMBL25273370 0.65 KMT2A (0.44) ALDH1A1PIM1TSHRHSD17B10MEN1

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 ALDH1A1 2634/4885PIM1 42/4885TSHR 1626/4885

“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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