SCHEMBL2031133

SCHEMBL2031133

COC(=O)c1cccc(-c2cc(N(C(=O)OC(C)(C)C)C3CC3)n3ncc(C=O)c3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE4D Q08499 1/20 0.37
SDHB P21912 1/20 0.36
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
CASP1 P29466 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
THRB P10828 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
CDK8 P49336 1/20 0.33
SYK P43405 1/20 0.33
TP53 P04637 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
SCHEMBL19527065 0.98 ERN1 (0.39) ERN1ALDH1A1KDM4EPDE4DSDHB
SCHEMBL1487769 0.89 CSNK2B (0.36) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL2029870 0.89 CSNK2B (0.36) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL2028341 0.88 FYN (0.35) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL2031554 0.87 CSNK2B (0.41) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1487732 0.87 CSNK2B (0.38) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL2029163 0.87 CSNK2B (0.39) PDE4DHSD17B10GPR119CSNK2B
SCHEMBL2028347 0.87 GPR119 (0.40) ERN1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12583948 0.86 NTRK1 (0.41) ALDH1A1KDM4EHSD17B10HPGDGPR119
SCHEMBL2034621 0.86 SYK (0.36) ALDH1A1KDM4EHSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-01-25 EP disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 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-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CDK2, CKS2, CSNK2A1 ERN1 1201/4885ALDH1A1 3980/4885KDM4E 2647/4885

“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.