SCHEMBL2680236

SCHEMBL2680236

CC(C)(C)OC(=O)N1CCC(c2cc(N)n3nccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CHEK1 O14757 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2679959 0.94 CHEK1 (0.48) GPR119KDM4EMAPTTHRBCHEK1
SCHEMBL2680289 0.89 GPR119 (0.50) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL11931257 0.89 CHEK1 (0.50) GPR119KDM4ECHEK1CCNA2CDK2
SCHEMBL7880415 0.87 CHEK1 (0.47) GPR119KDM4EMAPTTHRBCHEK1
SCHEMBL2679455 0.87 GPR119 (0.48) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL17787557 0.85 CHEK1 (0.43) GPR119KDM4EMAPTTHRBCHEK1
SCHEMBL587988 0.84 FAAH (0.44) GPR119KDM4EMAPTTHRB
SCHEMBL6890507 0.83 CDK2 (0.48) GPR119KDM4ECHEK1CCNA2CDK2
SCHEMBL10277723 0.83 CDK2 (0.48) GPR119KDM4ECHEK1CCNA2CDK2
SCHEMBL593655 0.83 CDK2 (0.54) KDM4EMAPTCHEK1CCNA2CDK2

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
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US 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 GPR119 807/4885KDM4E 1448/4885MAPT 2597/4885

“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.