SCHEMBL725006

SCHEMBL725006

COc1ccc(-c2cc3nccc(Cl)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ALDH1A1 P00352 4/20 0.44
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
KCNA5 P22460 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42

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
SCHEMBL721362 0.85 DYRK1A (0.47) ALDH1A1CYP3A4MEN1KMT2ADYRK1A
SCHEMBL723435 0.84 EGFR (0.47) EGFRALDH1A1ABCB1ABCG2CYP3A4
SCHEMBL721875 0.84 CSNK2A2 (0.40) ALDH1A1MEN1PKMKMT2AMAOB
SCHEMBL723271 0.83 PDE4A (0.50) ALDH1A1ABCB1ABCG2CYP3A4MEN1
SCHEMBL721337 0.82 CYP1A1 (0.44) ALDH1A1ABCB1ABCG2CYP3A4MEN1
SCHEMBL723457 0.82 CYP1A1 (0.36) ALDH1A1ABCB1ABCG2CYP3A4MEN1
SCHEMBL10267556 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACYP1A1CYP1B1
SCHEMBL724007 0.81 MAPK14 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL721335 0.81 SYK (0.45) ALDH1A1ABCB1CYP3A4MEN1KMT2A
SCHEMBL722060 0.80 CYP1A1 (0.47) ALDH1A1ABCB1ABCG2CYP3A4MEN1

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 EGFR 1175/4885ALDH1A1 3568/4885ABCB1 1613/4885
US-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB EGFR 1317/4885ALDH1A1 1457/4885ABCB1 700/4885

“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.