SCHEMBL1769424

SCHEMBL1769424

CC1=C(C#N)C(c2cc3c(NC(=O)c4ccccc4)nccc3o2)C2=C(COC2=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.56
▸ ALDH1A1 P00352 9/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ FFAR3 O14843 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ GLA P06280 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ GAA P10253 5/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL14970019 1.00 MET (0.56) METALDH1A1KDM4EGABRA1TMEM97
SCHEMBL12649850 0.88 MET (0.49) METALDH1A1KDM4EGABRA1TMEM97
SCHEMBL12649767 0.87 MET (0.48) METALDH1A1KDM4EMAPTHTT
SCHEMBL14956189 0.87 MET (0.48) METALDH1A1KDM4EMAPTHTT
SCHEMBL1769243 0.87 MET (0.48) METALDH1A1KDM4EMAPTHTT
SCHEMBL14969969 0.87 MET (0.48) METALDH1A1KDM4EMAPTHTT
SCHEMBL14970100 0.83 MET (0.47) METALDH1A1KDM4EGABRA1TMEM97
SCHEMBL14956578 0.83 MET (0.47) METALDH1A1KDM4EGABRA1TMEM97
SCHEMBL1769152 0.82 MET (0.45) METALDH1A1GABRA1TMEM97MAPT
SCHEMBL14956583 0.82 MET (0.46) METALDH1A1GABRA1TMEM97GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501700-B1 Furopyridinyl-substituted 1,4-dihydropyridine derivatives and methods of use thereof BAYER IP GMBH (DE) 2014-01-15 — — EP disclosed
US-8604028-B2 Furopyridinyl-substituted 1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-10 — — US disclosed
US-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 — — US disclosed
EP-2501700-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Intellectual Property GmbH (DE) 2012-09-26 — — EP disclosed
WO-2011061157-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — 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-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, RET, ERBB4 MET 1/4885ALDH1A1 709/4885KDM4E 703/4885

“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.

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