SCHEMBL14970100

SCHEMBL14970100

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.47
GABRA1 P14867 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NR3C2 P08235 1/20 0.33
HTT P42858 1/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14956578 1.00 MET (0.47) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL12649672 0.94 MET (0.46) METLRRK2ALDH1A1HTTKDM4E
SCHEMBL12649850 0.92 MET (0.49) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL14956583 0.88 MET (0.46) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL14970083 0.88 MET (0.46) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL14956252 0.85 MET (0.43) METGABRA1TMEM97ALDH1A1GAA
SCHEMBL14970101 0.85 MET (0.43) METGABRA1TMEM97ALDH1A1GAA
SCHEMBL14970103 0.84 MET (0.45) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL1769152 0.84 MET (0.45) METGABRA1TMEM97LRRK2ALDH1A1
SCHEMBL14956015 0.84 MET (0.43) METGABRA1TMEM97ALDH1A1GAA

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 4 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
US-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US 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 1/4885GABRA1 4124/4885TMEM97 2219/4885

“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.