SCHEMBL18314503

SCHEMBL18314503

CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCOC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL2354787 0.91 NR1H2 (0.45) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2351668 0.91 NR1H2 (0.45) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2351674 0.91 NR1H2 (0.45) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL17032300 0.90 HPGD (0.43) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL12356485 0.87 HPGD (0.43) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2382722 0.85 HPGD (0.40) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2382725 0.85 HPGD (0.40) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2349491 0.85 NR1H2 (0.44) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2349492 0.85 NR1H2 (0.44) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL7138425 0.84 ALDH1A1 (0.39) HPGDRECQLEPHX1ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE IP2IPO INNOVATIONS LIMITED (GB) 2016-12-15 US 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-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 HPGD 2092/4885RECQL 2442/4885EPHX1 2520/4885

“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.