SCHEMBL723957

SCHEMBL723957

COc1ccc(-c2ccnc3cc(-c4ccc(N5CCNCC5)cc4)oc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPKAPK2 P49137 1/20 0.46
USP8 P40818 1/20 0.45
TGFBR1 P36897 10/20 0.45
ACVR1 Q04771 10/20 0.44
RIOK2 Q9BVS4 1/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
FYN P06241 1/20 0.43
BMPR1A P36894 2/20 0.43
ACVRL1 P37023 2/20 0.43
RIPK2 O43353 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43

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
SCHEMBL723000 0.86 ACVR1 (0.47) USP8TGFBR1ACVR1CCNT1CDK9
SCHEMBL722250 0.85 ACVR1 (0.51) TGFBR1ACVR1CCNT1CDK9BMPR1A
SCHEMBL723765 0.84 ACVR1 (0.44) USP8TGFBR1ACVR1CCNT1CDK9
SCHEMBL723929 0.83 PIM1 (0.50) CHRNB2CHRNA4MAPKAPK2TGFBR1ACVR1
SCHEMBL15209104 0.83 MAPKAPK2 (0.48) MAPKAPK2TGFBR1ACVR1CCNT1CDK9
SCHEMBL722093 0.82 MAPKAPK2 (0.46) MAPKAPK2TGFBR1ACVR1CDK9BMPR1A
SCHEMBL15209552 0.79 FGFR1 (0.41)
SCHEMBL721482 0.79 ACVR1 (0.44) MAPKAPK2TGFBR1ACVR1CCNT1CDK9
SCHEMBL724976 0.78 ACVR1 (0.44) TGFBR1ACVR1CCNT1CDK9BMPR1A
SCHEMBL15216705 0.78 CHEK1 (0.47) MAPKAPK2TGFBR1ACVR1CDK9BMPR1A

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 7 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-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

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 CHRNB2 4829/4885CHRNA4 4844/4885MAPKAPK2 867/4885

“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.