SCHEMBL584627

SCHEMBL584627

C[C@H](O)[C@@H](O)C(=O)N1CCC(N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ DPP4 P27487 10/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ SMYD3 Q9H7B4 2/20 0.38
▸ DPP7 Q9UHL4 4/20 0.35
▸ PREP P48147 1/20 0.35
▸ CACNA1B Q00975 2/20 0.34

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
SCHEMBL10280581 1.00 MEN1 (0.43) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL985369 0.84 MEN1 (0.46) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL985368 0.84 MEN1 (0.46) MEN1ALDH1A1KMT2AGNAI3GNAO1
Hydrochloric Acid SCHEMBL985144 0.82 GNAI3 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
Hydrochloric Acid SCHEMBL985143 0.82 GNAI3 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL3059596 0.82 MEN1 (0.47) MEN1ALDH1A1KMT2AGNAI3GNAO1
Hydrochloric Acid SCHEMBL17796058 0.80 GNAI3 (0.46) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL15155982 0.76 EPHX2 (0.56) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL25933055 0.76 MEN1 (0.42) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL25930930 0.76 MEN1 (0.42) MEN1ALDH1A1KMT2AGNAI3GNAO1

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MEN1 1398/4885ALDH1A1 3479/4885KMT2A 2825/4885

“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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