SCHEMBL2463003

SCHEMBL2463003

CCc1cc(C#N)ccc1C=C(C(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
SETDB1 Q15047 1/20 0.38
CYP2A6 P11509 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALB P02768 1/20 0.35
FBP1 P09467 1/20 0.35
RAD51 Q06609 1/20 0.35
LMNA P02545 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
ABCC9 O60706 1/20 0.34

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
SCHEMBL22360123 0.87 CYP2A6 (0.36) DYRK1ASETDB1CYP2A6PDCD1CD274
SCHEMBL22051064 0.85 PDCD1 (0.37) DYRK1ASETDB1PDCD1CD274ALDH1A1
SCHEMBL2460353 0.81 DYRK1A (0.40) DYRK1ASETDB1CYP2A6PDCD1CD274
SCHEMBL2460718 0.80 CYP1A2 (0.43) DYRK1APIN1MAPTMEN1KMT2A
SCHEMBL2460419 0.80 GABRA1 (0.46) DYRK1APIN1ALDH1A1MAPTALB
SCHEMBL22360089 0.79 ABCC9 (0.30) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL22360107 0.79 ABCC9 (0.30) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2463716 0.78 GAA (0.48) KDM4EMAPTKMT2AGAALMNA
SCHEMBL29952696 0.77 CYP2A6 (0.44) DYRK1ASETDB1CYP2A6PIN1ALDH1A1
SCHEMBL1859259 0.77 CYP2A6 (0.44) DYRK1ASETDB1CYP2A6PIN1ALDH1A1

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 9 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
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
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
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
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
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
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 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-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF QDPR, NQO1, NAT1 DYRK1A 1649/4885SETDB1 4820/4885CYP2A6 59/4885

“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.