SCHEMBL12503589

SCHEMBL12503589

COc1ccc(-c2cc3nccc(-c4ccccc4)c3o2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ADORA2A P29274 2/20 0.41
TERT O14746 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
NTRK1 P04629 1/20 0.38
MAPT P10636 3/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ACACA Q13085 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12503588 0.84 IKBKB (0.43) ALDH1A1ADORA2ACYP1A1CYP1B1MAPT
SCHEMBL722839 0.82 PDE4C (0.51) ALDH1A1CYP1A1CYP1B1JAK2JAK1
SCHEMBL724620 0.81 PDE4A (0.51) ALDH1A1ADORA2ATERTCYP1A1CYP1B1
SCHEMBL724917 0.81 TOP1 (0.48) ALDH1A1ADORA2ACYP1A1CYP1B1MAPT
SCHEMBL722854 0.81 FAAH (0.41) ADORA2ACYP1A1CYP1B1JAK2JAK1
SCHEMBL27920129 0.79 CYP1A1 (0.48) ALDH1A1ADORA2ACYP1A1CYP1B1JAK2
SCHEMBL722578 0.79 TLR8 (0.42) ALDH1A1ADORA2ATERTCYP1A1CYP1B1
SCHEMBL721487 0.79 ADORA2A (0.45) ALDH1A1ADORA2ANTRK1MAPTADORA1
SCHEMBL12503586 0.79 ADORA2A (0.45) ALDH1A1ADORA2ACYP1A1CYP1B1NTRK1
SCHEMBL722239 0.78 TERT (0.47) ADORA2ATERTCYP1A1CYP1B1JAK2

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 ALDH1A1 1457/4885ADORA2A 1547/4885TERT 2029/4885

“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.