SCHEMBL17201637

SCHEMBL17201637

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
NOTUM Q6P988 13/20 0.40
HCAR2 Q8TDS4 1/20 0.38
PLK4 O00444 2/20 0.38
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
CHEK2 O96017 2/20 0.38
CDK1 P06493 2/20 0.38
PIM1 P11309 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1D P48730 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CSNK2A1 P68400 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKB Q96GD4 2/20 0.38
PLK3 Q9H4B4 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
FLT4 P35916 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
SCHEMBL17201582 0.84 RPS6KB1 (0.43) MAPK14CSNK1DGSK3AGSK3BCSNK2A1
SCHEMBL17201623 0.70 ADORA1 (0.39) MAPK14HCAR2MKNK1MKNK2ERN1
SCHEMBL16610036 0.68 DAO (0.46) NOTUM
SCHEMBL17208101 0.67 MKNK1 (0.70) MKNK1MKNK2
SCHEMBL17201685 0.66 DAO (0.45) NOTUMGSK3B
SCHEMBL18701659 0.66 DAO (0.45) MAPK14NOTUMHCAR2
SCHEMBL660382 0.66 GSK3A (0.60) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL18701754 0.65 DAO (0.63) NOTUMGSK3B
SCHEMBL25779104 0.63 HCAR2 (0.42) HCAR2DYRK1AMKNK1MKNK2ERN1
SCHEMBL17201504 0.63 IKBKB (0.48)

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 MAPK14 3361/4885NOTUM 1959/4885HCAR2 455/4885

“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.