SCHEMBL724976

SCHEMBL724976

CN1CCOc2cc(-c3ccnc4cc(-c5ccc(N6CCNCC6)cc5)oc34)cnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 13/20 0.44
TGFBR1 P36897 4/20 0.44
BMPR1B O00238 9/20 0.40
BMPR1A P36894 9/20 0.40
ACVRL1 P37023 9/20 0.40
ACVR1B P36896 5/20 0.40
FLT3 P36888 1/20 0.40
DDR1 Q08345 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
RIPK2 O43353 3/20 0.39
NOD2 Q9HC29 2/20 0.39
BMP4 P12644 2/20 0.37
ACVR2A P27037 1/20 0.37
KDR P35968 1/20 0.37
TGFBR2 P37173 1/20 0.37
ACVR2B Q13705 1/20 0.37
BMPR2 Q13873 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37

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
SCHEMBL726961 0.83 SYK (0.38) GRM5
SCHEMBL15209048 0.83 GRM5 (0.38) GRM5
SCHEMBL724201 0.82 GRM5 (0.36) GRM5
SCHEMBL723334 0.81 GRM5 (0.39) GRM5
SCHEMBL15209725 0.81 GRM5 (0.43) ACVR1TGFBR1KDRPRKAB1GRM5
SCHEMBL723324 0.81 GRM5 (0.39) GRM5
SCHEMBL723000 0.79 ACVR1 (0.47) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL722250 0.78 ACVR1 (0.51) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL15209104 0.78 MAPKAPK2 (0.48) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL15209782 0.78 PIK3CA (0.43) GRM5

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 11 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
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-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
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB ACVR1 2178/4885TGFBR1 455/4885BMPR1B 1618/4885

“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.