SCHEMBL1319785

SCHEMBL1319785

Cc1cc(=O)c2c(C#N)ccc(C)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A1 P04798 2/20 0.38
MAPK1 P28482 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL1320317 0.82 CYP3A4 (0.38) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL1319846 0.81 TP53 (0.37) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL2273343 0.75 CYP3A4 (0.45) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL1321183 0.75 CYP3A4 (0.45) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL12808933 0.72 CYP3A4 (0.42) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL12325473 0.72 CYP3A4 (0.40) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL1320821 0.70 LMNA (0.46) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL16576791 0.65 CYP3A4 (0.45) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL28903680 0.63 TP53 (0.66) MAPTCYP3A4TP53SMN1; SMN2KDM4E
SCHEMBL1319784 0.63 PRKDC (0.55) MAPTCYP3A4TP53SMN1; SMN2KDM4E

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-8436180-B2 Substituted-4-aryl-1,4-dihydro-1,6-naphthyridinamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-07 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
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
US-8399471-B2 Aryl-or heteroaryl-substituted pyrido[2,3-d] pyrimidines and pharmaceutical compositions of the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-19 US disclosed
US-8399471-B2 Aryl-or heteroaryl-substituted pyrido[2,3-d] pyrimidines and pharmaceutical compositions of the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-19 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
WO-2008104306-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
EP-1926727-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer HealthCare AG (DE) 2008-06-04 EP disclosed
WO-2008034534-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-27 WO 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
WO-2007140894-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 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-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 MAPT 3226/4885CYP3A4 33/4885TP53 3179/4885

“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.