SCHEMBL12460964

SCHEMBL12460964

N[C@@H](CO)c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
PLAU P00749 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GBA1 P04062 1/20 0.35
S1PR3 Q99500 6/20 0.35
FDPS P14324 1/20 0.34
S1PR4 O95977 4/20 0.33
TSHR P16473 1/20 0.33
S1PR2 O95136 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15241001 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL15240998 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CPLAUKDM4E
Hydrochloric Acid SCHEMBL14246358 0.98 ADRA2A (0.41) ADRA2AADRA2BADRA2CPLAUKDM4E
Hydrochloric Acid SCHEMBL14246357 0.98 ADRA2A (0.41) ADRA2AADRA2BADRA2CPLAUKDM4E
Hydrochloric Acid SCHEMBL14246354 0.96 ADRA2A (0.37) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL6686615 0.82 GBA1 (0.36) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL20288302 0.81 GBA1 (0.43) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL4901498 0.78 KDM4E (0.38) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL14647734 0.78 ADRA2A (0.37) ADRA2AADRA2BADRA2CKDM4E
SCHEMBL5144483 0.77 ESR1 (0.42) ADRA2AADRA2BADRA2CPLAUKDM4E

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 ADRA2A 4568/4885ADRA2B 4475/4885ADRA2C 4603/4885

“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.