SCHEMBL722107

SCHEMBL722107

Cn1cc(-c2ccnc3cc(-c4ccc(OCCN5CCCCC5)cc4)oc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.51
BMP4 P12644 3/20 0.48
HRH3 Q9Y5N1 6/20 0.46
KCNH2 Q12809 3/20 0.46
LTA4H P09960 1/20 0.44
BMPR1B O00238 2/20 0.44
BMPR1A P36894 2/20 0.44
ACVR1B P36896 2/20 0.44
ACVRL1 P37023 2/20 0.44
ACVR1 Q04771 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL723587 0.87 ATM (0.48) KDR
SCHEMBL723601 0.85 HRH3 (0.48) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL723517 0.85 LTA4H (0.46) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL723320 0.85 BRAF (0.42) GRM4ACVR1BACVR1KDRPRKAB1
SCHEMBL723328 0.84 BCHE (0.47) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL722072 0.84 KDR (0.46) GRM4HRH3ACVR1FLT1KDR
SCHEMBL724818 0.84 PRKAB2 (0.47) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL725108 0.84 KDR (0.54) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL723313 0.83 LTA4H (0.43) GRM4BMP4HRH3KCNH2LTA4H
SCHEMBL725014 0.83 ALDH1A1 (0.46) LTA4HTGFBR1TLR9

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
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 GRM4 4357/4885BMP4 4088/4885HRH3 740/4885

“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.