SCHEMBL723301

SCHEMBL723301

Oc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
CYP1A2 P05177 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TERT O14746 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 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
SCHEMBL27920129 0.87 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2ESR1ESR2
SCHEMBL12503586 0.83 ADORA2A (0.45) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL15208962 0.82 MAPT (0.43) CYP1A1CYP1B1CYP1A2CCNB2CDK1
SCHEMBL12503585 0.81 FYN (0.48) CYP1A2CDK1ALDH1A1HPGDTP53
SCHEMBL723781 0.80 TGFBR1 (0.46) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL723961 0.80 CYP1A2 (0.40) CYP1A1CYP1B1CYP1A2CYP3A4CYP2C9
SCHEMBL724917 0.80 TOP1 (0.48) CYP1A1CYP1B1CYP1A2CCNB2CDK1
SCHEMBL723597 0.80 FYN (0.54) CYP3A4ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL723571 0.78 TAAR1 (0.44) CYP1A1CYP1B1CYP1A2ESR1ESR2
SCHEMBL721399 0.78 NEK1 (0.48) CYP3A4HPGDKDM4EALOX15SMN1; SMN2

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 16 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
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 915/4885CYP1A2 908/4885

“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.