SCHEMBL584095

SCHEMBL584095

Nc1cc(C2CCCC3(C2)OCCO3)nc2ccnn12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.57
CCNA2 P20248 14/20 0.57
CDK2 P24941 14/20 0.57
CCNA1 P78396 14/20 0.57
TRPV3 Q8NET8 1/20 0.38
PDE10A Q9Y233 1/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL584764 0.93 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL584609 0.86 TRPV3 (0.42) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL584081 0.86 PDE10A (0.43) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL583997 0.85 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL594485 0.78 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL584914 0.78 PDE10A (0.46) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL7846641 0.77 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL16784468 0.73 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL30757838 0.73 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL594923 0.72 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1PDE10A

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 7 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
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
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 CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.