SCHEMBL721951

SCHEMBL721951

OCCOc1ccc(-c2cc3nccc(-c4cncnc4)c3o2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
ABL1 P00519 1/20 0.34
PDK2 Q15119 2/20 0.33
ABCB1 P08183 1/20 0.33
BRAF P15056 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32

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
SCHEMBL722171 0.90 CYP3A4 (0.45) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL723926 0.86 CA12 (0.34) CYP2D6CYP3A4CA12CA1CA9
SCHEMBL723867 0.85 PRKAB2 (0.36) CYP2D6CA12CA1CA9TLR8
SCHEMBL15216702 0.85 USP7 (0.36) ABL1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL723393 0.85 MAPKAPK2 (0.35) CYP1A2CYP2A6
SCHEMBL723601 0.84 HRH3 (0.48) BRAFPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL723260 0.83 TLR8 (0.39) TLR8CYP2A6
SCHEMBL722186 0.83 CHEK1 (0.36) CA12CA1CA9PRKAB2PRKAG1
SCHEMBL722187 0.83 CD38 (0.34) CYP2D6CYP3A4CA12CA1CA9
SCHEMBL15216703 0.82 PIK3C3 (0.38)

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 11 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
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

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 CYP2D6 2073/4885CYP3A4 2796/4885CA12 4674/4885

“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.