SCHEMBL721989

SCHEMBL721989

Cn1cc(-c2ccnc3cc(-c4ccc5nc[nH]c5c4)oc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.44
TERT O14746 2/20 0.42
AURKB Q96GD4 3/20 0.41
AURKA O14965 2/20 0.41
INCENP Q9NQS7 2/20 0.41
TPX2 Q9ULW0 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PRKCI P41743 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
QPCT Q16769 6/20 0.39
QPCTL Q9NXS2 3/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL724878 0.85 LRRK2 (0.47) ACVR1AURKBAURKAINCENPTPX2
SCHEMBL10268949 0.84 AURKB (0.46) AURKBAURKAINCENPTPX2BRD4
SCHEMBL725356 0.82 BRAF (0.43) AURKBAURKAINCENPTPX2
SCHEMBL724531 0.82 LRRK2 (0.56) AURKBAURKAINCENPTPX2BRD4
SCHEMBL724102 0.81 AURKB (0.38) ACVR1AURKBAURKAINCENPTPX2
SCHEMBL722397 0.79 AURKB (0.44) AURKBAURKAINCENPTPX2CYP1A1
SCHEMBL723727 0.79 FYN (0.40) AURKBAURKAINCENPTPX2KDM4E
SCHEMBL724280 0.79 AURKB (0.38) ACVR1AURKBAURKAINCENPTPX2
SCHEMBL724027 0.79 LRRK2 (0.48) AURKBAURKAINCENPTPX2BRD4
SCHEMBL723582 0.78 CLK2 (0.45) AURKBAURKAINCENPTPX2MAP3K7

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 ACVR1 2178/4885TERT 2029/4885AURKB 1443/4885

“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.