SCHEMBL12503587

SCHEMBL12503587

COc1cc(C(N)=O)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.41
BRD4 O60885 1/20 0.39
IKBKB O14920 2/20 0.39
KAT6A Q92794 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
PARP1 P09874 1/20 0.38
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
ACVR1 Q04771 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
PIK3CG P48736 1/20 0.37
HPGD P15428 2/20 0.36
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL721487 0.84 ADORA2A (0.45) KDM4ECASP3SENP7HPGDTOP1
SCHEMBL12503585 0.83 FYN (0.48) CHEK2INSRMAPK8KDM4ECASP3
SCHEMBL724917 0.81 TOP1 (0.48) KDM4EHPGDTOP1ALDH1A1HSD17B10
SCHEMBL10268115 0.80 PDE4C (0.45) BRD4ALDH1A1
SCHEMBL12503588 0.79 IKBKB (0.43) IKBKBCAMKK2CHUKINSRMAPK8
SCHEMBL721632 0.78 PDE4C (0.41) BRD4ALDH1A1FYN
SCHEMBL721399 0.78 NEK1 (0.48) CAMKK2KDM4EHPGDHTTNPC1
SCHEMBL723577 0.78 NEK1 (0.39) KAT6ACAMKK2KDM4EHTT
SCHEMBL721365 0.77 KDM5A (0.39) KAT6A
SCHEMBL724238 0.77 FYN (0.44) BRD4ACVR1PIK3CGALDH1A1FYN

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 6 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

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 CHEK2 1703/4885BRD4 1150/4885IKBKB 60/4885

“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.