SCHEMBL12503585

SCHEMBL12503585

NC(=O)c1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.48
PRKCI P41743 1/20 0.47
CHEK2 O96017 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
NTRK1 P04629 1/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL721399 0.85 NEK1 (0.48) AXLFAAHNPC1RAB9AKDM4E
SCHEMBL10267311 0.84 AR (0.51) FYNPRKCISYKNPC1RAB9A
SCHEMBL12503592 0.84 MAP3K7 (0.49) FYNPRKCINTRK1LCKFGFR1
SCHEMBL12503587 0.83 CHEK2 (0.41) FYNCHEK2INSRKDRMAPK8
SCHEMBL27920129 0.81 CYP1A1 (0.48) PRKD3PAK4CDK1CSF1RFGFR1
SCHEMBL723301 0.81 CYP1A1 (0.43) EGFRCDK1MAPK1CSNK2A1FAAH
SCHEMBL12503586 0.81 ADORA2A (0.45) NTRK1LCKFAAHNPC1RAB9A
SCHEMBL12503588 0.79 IKBKB (0.43) FYNCDC7AURKAABL1INSR
SCHEMBL721365 0.79 KDM5A (0.39) SYKCYP1A2DHODHIP6K1
SCHEMBL723961 0.78 CYP1A2 (0.40) EGFRSYKCSNK2A1CFDCYP1A2

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 FYN 33/4885PRKCI 556/4885CHEK2 1703/4885

“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.