Sugi Predict

Sugi Predict / Compounds / SCHEMBL14970101

SCHEMBL14970101

SCHEMBL14970101

CC1=C(C#N)C(c2cc3c(NC(=O)c4ccccc4)nccc3o2)C(C#N)=C(c2ccc(F)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.43
▸ ADCY1 Q08828 3/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ MAPK14 Q16539 3/20 0.35
▸ ADCY8 P40145 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PPARG P37231 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
SCHEMBL14956252 1.00 MET (0.43) METADCY1GABRA1TMEM97CSNK1D
SCHEMBL14956015 0.92 MET (0.43) METGABRA1TMEM97TP53MAPT
SCHEMBL12649577 0.92 MET (0.43) METGABRA1TMEM97TP53MAPT
SCHEMBL12649850 0.89 MET (0.49) METGABRA1TMEM97MAPTSMN1; SMN2
SCHEMBL14970100 0.85 MET (0.47) METGABRA1TMEM97MAPTALDH1A1
SCHEMBL14956578 0.85 MET (0.47) METGABRA1TMEM97MAPTALDH1A1
SCHEMBL1769243 0.85 MET (0.48) METADCY1MAPK14ADCY8TP53
SCHEMBL14969969 0.85 MET (0.48) METADCY1MAPK14ADCY8TP53
SCHEMBL14956583 0.85 MET (0.46) METGABRA1TMEM97ALDH1A1GAA
SCHEMBL14970083 0.85 MET (0.46) 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 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
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 1/4885ADCY1 2994/4885GABRA1 4124/4885

“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.