SCHEMBL722853

SCHEMBL722853

Cc1cc(C(=O)NC(C)(C)CO)cc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
GABRA5 P31644 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
KAT6A Q92794 4/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.35
TACR1 P25103 1/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34
SYK P43405 1/20 0.33
CETP P11597 1/20 0.33
CYP2C9 P11712 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
POLB P06746 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL721365 0.84 KDM5A (0.39) KAT6ASYK
SCHEMBL723577 0.82 NEK1 (0.39) GABRA5KAT6ACNR2SYKCETP
SCHEMBL723580 0.81 JAK2 (0.38) CNR2POLB
SCHEMBL15208954 0.81 FYN (0.42) MAP4K4NPC1RAB9AATMCNR2
SCHEMBL721399 0.72 NEK1 (0.48) GABRA5NPC1RAB9A
SCHEMBL721369 0.71 NUDT1 (0.34) NPC1RAB9A
SCHEMBL27920129 0.71 CYP1A1 (0.48) MAP4K4NPC1RAB9ACYP2C9
SCHEMBL12503585 0.71 FYN (0.48) NPC1RAB9ASYKCYP2C9
SCHEMBL15210569 0.70 NPC1 (0.43) NPC1RAB9APOLB
SCHEMBL12503587 0.69 CHEK2 (0.41) NPC1RAB9AKAT6A

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 14 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
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 MAP4K4 1964/4885GABRA5 4377/4885NPC1 4244/4885

“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.