SCHEMBL721425

SCHEMBL721425

COc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 1/20 0.33
CTSC P53634 1/20 0.33
FLT4 P35916 3/20 0.33
DYRK3 O43781 2/20 0.33
ROCK2 O75116 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
NTRK1 P04629 2/20 0.33
CDK1 P06493 2/20 0.33
MARK3 P27448 2/20 0.33
AXL P30530 2/20 0.33
FLT3 P36888 2/20 0.33
SYK P43405 2/20 0.33
CSNK1D P48730 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
BLK P51451 2/20 0.33
IRAK1 P51617 2/20 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
SCHEMBL16817185 0.88 CYP3A4 (0.32) CYP3A4CYP3A5FLT4DYRK3ROCK2
SCHEMBL724091 0.86 AAK1 (0.41) FLT4ROCK2PRKD3MARK3FLT3
SCHEMBL723072 0.84 LTB4R (0.40) CTSCCCNT1CDK9ALDH1A1HPGD
SCHEMBL16817172 0.79 FAAH (0.36) CYP3A4CYP3A5FLT4DYRK3ROCK2
SCHEMBL16817166 0.73 VCP (0.36) ALDH1A1HPGDMAPTTSHRTP53
SCHEMBL723076 0.73 SCN9A (0.44) FLT4ROCK2PRKD3MARK3FLT3
SCHEMBL12503587 0.73 CHEK2 (0.41) ALDH1A1HPGDMAPTKDRTSHR
SCHEMBL721487 0.71 ADORA2A (0.45) CYP3A4FLT4NTRK1CDK1GSK3A
SCHEMBL724917 0.71 TOP1 (0.48) CYP3A4CDK1GSK3AGSK3BCDK5
SCHEMBL723883 0.70 AAK1 (0.41) EGFRALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB CYP3A4 2796/4885CYP3A5 2628/4885CTSC 1849/4885

“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.