SCHEMBL2460419

SCHEMBL2460419

CC(=O)C(=Cc1ccc(C#N)cc1Cl)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
AR P10275 3/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
DYRK1A Q13627 1/20 0.39
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
VCAM1 P19320 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2460353 0.83 DYRK1A (0.40) DYRK1AALDH1A1PIN1MRGPRX4ALB
SCHEMBL2460718 0.81 CYP1A2 (0.43) DYRK1AMAPTPIN1ALBEGLN2
SCHEMBL2463003 0.80 DYRK1A (0.38) DYRK1AMAPTALDH1A1PIN1ALB
SCHEMBL2463716 0.79 GAA (0.48) ARMAPT
SCHEMBL2464656 0.75 PDE3B (0.37) PDK1PDK2PDK3PDK4DYRK1A
SCHEMBL2460782 0.74 TDP1 (0.55) GABRA1GABRG2GABRB3ARPDK1
SCHEMBL15547203 0.73 BACE1 (0.44) MAPTALDH1A1PIN1RAD51
SCHEMBL231074 0.73 ALDH1A1 (0.60) CA1CA2MAPTALDH1A1FBP1
SCHEMBL30605984 0.73 SLC16A3 (0.44) ARMAPT
SCHEMBL28647046 0.72 MAPT (0.46) ARPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
EP-2029591-B1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF Bayer Pharma AG (DE) 2011-09-07 EP disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF QDPR, NQO1, NAT1 GABRA1 4154/4885GABRG2 4663/4885GABRB3 4311/4885

“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.