SCHEMBL17201582

SCHEMBL17201582

COC(=O)c1cc(F)c(-c2cncnc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
NTRK2 Q16620 1/20 0.43
AURKB Q96GD4 1/20 0.43
OPRD1 P41143 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CSNK2A2 P19784 1/20 0.38
KDR P35968 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL17201637 0.84 MAPK14 (0.44) CSNK1DGSK3AGSK3BDYRK1AAURKB
SCHEMBL17201504 0.73 IKBKB (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL19892312 0.71 MKNK1 (0.50) GSK3AGSK3BAURKBKDM4EALDH1A1
SCHEMBL17201680 0.71 PTPN2 (0.43) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL30744198 0.70 CSNK1D (0.63) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL660155 0.70 CSNK1D (0.63) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL4800245 0.67 CSNK2A1 (0.46) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL20681570 0.66 PTGS1 (0.50) OPRD1PTGS1PTGS2KDM4EALDH1A1
SCHEMBL17208107 0.66 HSD17B1 (0.56) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL34469461 0.65 RPS6KB1 (0.43) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A

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
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT RPS6KB1 388/4885CSNK1D 695/4885GSK3A 2729/4885

“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.