SCHEMBL2464656

SCHEMBL2464656

CC(=O)C(=Cc1ccc(C#N)cc1OC(F)(F)F)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
PDE5A O76074 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
DYRK1A Q13627 1/20 0.34
NTRK1 P04629 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
ACACB O00763 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
SCHEMBL2463716 0.83 GAA (0.48) GAATDP1MAPT
SCHEMBL2460118 0.79 HRH4 (0.39) HRH4NTRK1TMPRSS4MAOAMAOB
SCHEMBL2460718 0.77 CYP1A2 (0.43) DYRK1AMAPTFFAR4
SCHEMBL30605984 0.77 SLC16A3 (0.44) GAATDP1MAPT
SCHEMBL31122748 0.77 MEN1 (0.39) GAATDP1PTGDR2MAPT
SCHEMBL23142439 0.76 CYP1A2 (0.51) GAATDP1MAPT
SCHEMBL31295841 0.76 CYP3A4 (0.43) GAATDP1MAPT
SCHEMBL18583713 0.76 CYP1A2 (0.51) GAATDP1MAPT
SCHEMBL18583806 0.76 CYP1A2 (0.51) GAATDP1MAPT
SCHEMBL2460353 0.76 DYRK1A (0.40) GAATDP1DYRK1A

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 PDE3B 840/4885PDE3A 838/4885HRH4 572/4885

“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.