SCHEMBL721362

SCHEMBL721362

COc1cccc(-c2cc3nccc(Cl)c3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL723840 0.85 CCNB2 (0.48) DYRK1ACLK4CYP1A1CYP1A2CYP1B1
SCHEMBL725006 0.85 EGFR (0.46) DYRK1ACYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL25074437 0.84 MAP4K4 (0.39) CYP1A2RAB9ACYP3A4MAPTTDO2
SCHEMBL25074372 0.84 PRKDC (0.42) DYRK1ACYP1A2CYP3A4MAPT
SCHEMBL724917 0.83 TOP1 (0.48) DYRK1ACLK4CYP1A1CYP1A2CYP1B1
SCHEMBL723288 0.82 PBRM1 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL723271 0.80 PDE4A (0.50) DYRK1ACYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL722060 0.80 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL723593 0.80 LCK (0.41) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL15208962 0.80 MAPT (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812337-B1 FURO [3, 2 - B]PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
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-9045493-B2 Furo[3,2-b]- and thieno[3,2-b]pyridin derivatives MERCK PATENT GMBH (DE) 2015-06-02 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-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20150005284-A1 Furo[3,2-b]- and thieno[3,2-b]pyridin derivatives MERCK PATENT GMBH (DE) 2015-01-01 US disclosed
EP-2812337-A1 FURO [3, 2 - B]- AND THIENO [3, 2 - B]PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS Merck Patent GmbH (DE) 2014-12-17 EP 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-2013117285-A1 FURO [3, 2 - B] - AND THIENO [3, 2 - B] PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS MERCK PATENT GMBH (DE) 2013-08-15 WO disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 (2 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-20150005284-A1 Furo[3,2-b]- and thieno[3,2-b]pyridin derivatives TBK1, NFKBIA, IKBKG DYRK1A 497/4885CLK4 3715/4885CYP1A1 1204/4885
US-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB DYRK1A 738/4885CLK4 2164/4885CYP1A1 452/4885

“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.