SCHEMBL12503586

SCHEMBL12503586

Nc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
MECP2 P51608 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MAOA P21397 1/20 0.42
MAP4K4 O95819 3/20 0.41
ASIC3 Q9UHC3 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
NUDT1 P36639 1/20 0.39
NTRK1 P04629 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
LCK P06239 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27920129 0.87 CYP1A1 (0.48) ADORA2AALDH1A1KDM4EMAPTMAOA
SCHEMBL723301 0.83 CYP1A1 (0.43) ALDH1A1KDM4EMAPTCYP1A1CYP1A2
SCHEMBL723961 0.83 CYP1A2 (0.40) ADORA2ACYP1A1CYP1A2CYP1B1
SCHEMBL721974 0.82 MAP3K7 (0.44)
SCHEMBL723593 0.82 LCK (0.41) MECP2ALDH1A1KDM4EMAPTMAOA
SCHEMBL721487 0.81 ADORA2A (0.45) ADORA2AALDH1A1KDM4EMAPTNPC1
SCHEMBL723571 0.81 TAAR1 (0.44) ADORA2AALDH1A1KDM4EMAOANPC1
SCHEMBL12503585 0.81 FYN (0.48) ALDH1A1KDM4ENPC1RAB9ANTRK1
SCHEMBL723781 0.80 TGFBR1 (0.46) ADORA2AALDH1A1KDM4EMAPTNPC1
SCHEMBL724917 0.80 TOP1 (0.48) ADORA2AALDH1A1KDM4EMAPTNPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2A 1547/4885MECP2 3140/4885ALDH1A1 1457/4885

“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.