SCHEMBL721337

SCHEMBL721337

COc1ccc(-c2cc3nccc(Cl)c3o2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.44
CYP1B1 Q16678 7/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
CYP1A2 P05177 2/20 0.39
PDE4A P27815 1/20 0.39
DYRK1A Q13627 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TERT O14746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL723271 0.91 PDE4A (0.50) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL722578 0.87 TLR8 (0.42) CYP1A1CYP1B1PDGFRBPDGFRACYP1A2
SCHEMBL723457 0.84 CYP1A1 (0.36) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL721335 0.83 SYK (0.45) CYP1A1CYP1B1CYP1A2MEN1KMT2A
SCHEMBL725006 0.82 EGFR (0.46) CYP1A1CYP1B1CYP1A2DYRK1AMEN1
SCHEMBL721875 0.80 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL15172962 0.80 GAA (0.42) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL721362 0.79 DYRK1A (0.47) CYP1A1CYP1B1CYP1A2DYRK1AMEN1
SCHEMBL18339745 0.78 CSNK2A2 (0.39) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL10267556 0.78 ALDH1A1 (0.44) CYP1A1CYP1B1PDGFRBPDGFRAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 CYP1A1 452/4885CYP1B1 915/4885PDGFRB 324/4885

“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.