SCHEMBL721995

SCHEMBL721995

COc1cc(-c2cc3nccc(C4CCN(CCO)CC4)c3o2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.40
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
KCNH2 Q12809 2/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
USP8 P40818 1/20 0.38
CCNT1 O60563 1/20 0.38
DRD2 P14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCN5A Q14524 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL723083 0.81 TGFBR1 (0.46) CDK9KCNH2TGFBR1ACVR1CCNT1
SCHEMBL722092 0.73 TTK (0.39)
SCHEMBL10266954 0.72 PDE4C (0.42) PDK2ALDH1A1FGFR1
SCHEMBL723093 0.71 PDE4C (0.55) ALDH1A1
SCHEMBL10268971 0.70 EHMT2 (0.42) ALDH1A1PDE1B
SCHEMBL721335 0.70 SYK (0.45) SMN1; SMN2ALDH1A1
SCHEMBL723546 0.70 JAK2 (0.44) FGFR1
SCHEMBL722839 0.69 PDE4C (0.51) ALDH1A1HTTTUBB4ATUBBTUBA3C
SCHEMBL722228 0.69 PDE4C (0.43)
SCHEMBL15210578 0.69 NCF1 (0.55) KCNH2TGFBR1ACVR1EGFR

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 10 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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

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 CDK9 1706/4885CASP3 933/4885CASP7 460/4885

“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.