SCHEMBL12503583

SCHEMBL12503583

CNc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 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
SCHEMBL16863427 0.85 MET (0.49) GRM1KDM4ELMNARXFP1TP53
SCHEMBL680256 0.81 LMNA (0.44) KDM4ELMNARXFP1TP53MAPT
SCHEMBL723243 0.78 LMNA (0.44) KDM4ELMNARXFP1TP53MAPT
SCHEMBL15506084 0.77 CA12 (0.47) KDM4ELMNARXFP1TP53MAPT
SCHEMBL27305850 0.75 LIPG (0.38) KDM4ETP53MAPTALDH1A1SMN1; SMN2
SCHEMBL20687681 0.74 GRM1 (0.49) GRM1LMNARXFP1TP53MAPT
SCHEMBL721541 0.74 MET (0.50) KDM4ELMNARXFP1TP53MAPT
SCHEMBL17929126 0.72 L3MBTL1 (0.50) KDM4ELMNARXFP1TP53MAPT
SCHEMBL30367422 0.72 LMNA (0.51) KDM4ELMNARXFP1MAPTKMT2A
SCHEMBL22249780 0.71 MEN1 (0.50) KDM4ELMNARXFP1TP53MAPT

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 8 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
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
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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP 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 GRM1 2177/4885KDM4E 1009/4885LMNA 3630/4885

“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.