SCHEMBL722232

SCHEMBL722232

COc1cc(-c2cc3nccc(-c4cnn(C)c4)c3o2)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.40
RET P07949 1/20 0.39
CFTR P13569 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SCN9A Q15858 1/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
MET P08581 3/20 0.37
AXL P30530 2/20 0.37
ATM Q13315 2/20 0.37
PRKAB2 O43741 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
PRKAG1 P54619 1/20 0.36
SIK1 P57059 1/20 0.36
PRKAA1 Q13131 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
SCHEMBL722933 0.82 MET (0.39) METCSF1RTTKMCHR1
SCHEMBL721802 0.77 FYN (0.51) TTK
SCHEMBL723154 0.76 BRD4 (0.40)
SCHEMBL722228 0.74 PDE4C (0.43) METTGFBR2TTKCYP1A2
SCHEMBL725506 0.72 KCNH2 (0.43) METTGFBR1TGFBR2TTK
SCHEMBL10268949 0.72 AURKB (0.46) METTGFBR1
SCHEMBL724888 0.72 ACVR2A (0.48) TGFBR1TGFBR2
SCHEMBL15209552 0.71 FGFR1 (0.41) RETMETCSF1RTTK
SCHEMBL721816 0.71 LRRK2 (0.45) METTTK
SCHEMBL722236 0.71 AURKB (0.38) IRAK1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
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
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 IRAK1 7/4885RET 238/4885CFTR 1666/4885

“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.