SCHEMBL14050853

SCHEMBL14050853

CC(C)(C)OC(=O)N1CCOC(c2cc(O)n3nccc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
ABCB1 P08183 2/20 0.40
GPR119 Q8TDV5 5/20 0.39
USP30 Q70CQ3 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
PDE2A O00408 4/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
PDE4B Q07343 1/20 0.36

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
SCHEMBL14050787 0.91 MALT1 (0.45) MALT1ABCB1GPR119USP30USP2
SCHEMBL593570 0.86 TRPV3 (0.47) GPR119USP30TRPV3PDE4B
SCHEMBL2680289 0.84 GPR119 (0.50) GPR119SMN1; SMN2TRPV3
SCHEMBL11931237 0.83 TRPV3 (0.48) GPR119USP30TRPV3PDE4B
SCHEMBL14050854 0.81 GPR119 (0.38) ABCB1GPR119USP30ABCG2SMARCA2
SCHEMBL25178041 0.80 TRPV3 (0.45) GPR119USP30USP2SMN1; SMN2PDE2A
SCHEMBL31116799 0.80 TRPV3 (0.45) GPR119USP30USP2SMN1; SMN2PDE2A
SCHEMBL30374041 0.79 GRM5 (0.45) GPR119USP30USP2SMN1; SMN2SMARCA2
SCHEMBL30912594 0.78 USP2 (0.40) ABCB1GPR119USP30USP2SMN1; SMN2
SCHEMBL30912480 0.78 USP2 (0.40) ABCB1GPR119USP30USP2SMN1; SMN2

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
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 MALT1 1879/4885ABCB1 1930/4885GPR119 2345/4885

“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.