SCHEMBL4078749

SCHEMBL4078749

CCCCCc1ccnc(-c2ccc(F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.44
KMO O15229 2/20 0.41
KCNH2 Q12809 1/20 0.40
RARB P10826 1/20 0.40
LNPEP Q9UIQ6 1/20 0.37
GPR3 P46089 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL12369306 0.96 KMO (0.42) GCGRKMOKCNH2RARBTLR8
SCHEMBL14146336 0.90 KMO (0.43) GCGRKMOKCNH2L3MBTL1
SCHEMBL7963811 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL529596 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL31004368 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL913250 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL1446914 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL7964430 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL11798255 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A
SCHEMBL29427461 0.78 TDP1 (0.46) TDP1L3MBTL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 US disclosed
EP-2084171-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE Showa Denko K.K. (JP) 2009-08-05 EP disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 WO disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 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-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE ELP1, RUVBL1, LIG1 GCGR 1589/4885KMO 3187/4885KCNH2 677/4885

“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.