SCHEMBL723929

SCHEMBL723929

c1cncc(-c2ccnc3cc(-c4ccc(N5CCNCC5)cc4)oc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
MAPKAPK2 P49137 6/20 0.47
ACVR1 Q04771 5/20 0.46
TGFBR1 P36897 3/20 0.46
RPS6KA3 P51812 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
BMPR1B O00238 3/20 0.45
ACVRL1 P37023 3/20 0.45
BMPR1A P36894 2/20 0.45
ACVR1B P36896 2/20 0.45
FLT3 P36888 1/20 0.45
DDR1 Q08345 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
IKBKB O14920 1/20 0.44
JAK2 O60674 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
SCHEMBL15209104 0.89 MAPKAPK2 (0.48) PIM1PIM3MAPKAPK2ACVR1TGFBR1
SCHEMBL722381 0.89 PRKDC (0.47) ACVR1TGFBR1RPS6KA3BMPR1BACVRL1
SCHEMBL723000 0.86 ACVR1 (0.47) ACVR1TGFBR1RPS6KA3BMPR1BACVRL1
SCHEMBL722250 0.85 ACVR1 (0.51) PIM1PIM3ACVR1TGFBR1BMPR1B
SCHEMBL15216705 0.84 CHEK1 (0.47) PIM1MAPKAPK2ACVR1TGFBR1BMPR1B
SCHEMBL721482 0.83 ACVR1 (0.44) PIM1PIM3PIM2MAPKAPK2ACVR1
SCHEMBL722093 0.83 MAPKAPK2 (0.46) PIM1MAPKAPK2ACVR1TGFBR1BMPR1B
SCHEMBL723957 0.83 CHRNB2 (0.49) MAPKAPK2ACVR1TGFBR1BMPR1BACVRL1
SCHEMBL723765 0.83 ACVR1 (0.44) ACVR1TGFBR1RPS6KA3BMPR1BACVRL1
SCHEMBL725049 0.82 PIM1 (0.41) PIM1ACVR1TGFBR1BMPR1BACVRL1

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 PIM1 404/4885PIM3 1127/4885PIM2 466/4885

“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.