SCHEMBL593655

SCHEMBL593655

Nc1cc(C2CCN(C(=O)O)CC2)nc2ccnn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.54
▸ CCNA1 P78396 2/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ SRC P12931 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ DGAT1 O75907 1/20 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
SCHEMBL584533 0.86 HPGD (0.39) CDK2CCNA1CHEK1CCNA2ALDH1A1
SCHEMBL594986 0.85 PDE10A (0.47) CDK2CCNA1CHEK1CCNA2ALDH1A1
SCHEMBL7846641 0.83 CHEK1 (0.68) CDK2CCNA1CHEK1CCNA2SRC
SCHEMBL1075532 0.83 CDK2 (0.55) CDK2CCNA1CHEK1CCNA2SRC
SCHEMBL2680236 0.83 GPR119 (0.48) CDK2CCNA1CHEK1CCNA2ALDH1A1
SCHEMBL2679959 0.79 CHEK1 (0.48) CDK2CCNA1CHEK1CCNA2ALDH1A1
SCHEMBL584858 0.79 CHEK1 (0.59) CDK2CCNA1CHEK1CCNA2SRC
SCHEMBL7880415 0.78 CHEK1 (0.47) CDK2CCNA1CHEK1CCNA2ALDH1A1
SCHEMBL30758 0.77 CHEK1 (0.60) CDK2CCNA1CHEK1CCNA2SRC
SCHEMBL10236643 0.77 CDK2 (0.51) CDK2CCNA1CHEK1CCNA2SRC

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 4 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
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 CDK2 165/4885CCNA1 1477/4885CHEK1 461/4885

“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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