SCHEMBL12011856

SCHEMBL12011856

c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)n2)nc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TGFBR1 P36897 2/20 0.31
▸ MAOA P21397 4/20 0.31
▸ MAOB P27338 4/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL12011855 0.95 MCL1 (0.33) GRM5HTR1AHTR7TNFDHFR
SCHEMBL12011848 0.92 MAPT (0.31) TNFMCL1TGFBR1MAOAMAOB
SCHEMBL12011774 0.90 TNF (0.40) GRM5HTR1AHTR7TNFDHFR
SCHEMBL12011859 0.88 GRM5 (0.35) GRM5HTR1AHTR7DHFRMCL1
SCHEMBL13006468 0.87 HSP90AA1 (0.33) TNFMCL1TGFBR1MAOAMAOB
SCHEMBL12011857 0.87 HTR1A (0.33) GRM5HTR1AHTR7DHFRMCL1
SCHEMBL12011854 0.87 HTR1A (0.33) GRM5HTR1AHTR7DHFRMCL1
SCHEMBL12011809 0.87 CYP11B1 (0.41) GRM5HTR1AHTR7TNFDHFR
SCHEMBL12919238 0.87 MAOA (0.34) TNFMAOAMAOBACHEKDM4E
SCHEMBL13006461 0.87 MAPT (0.40) TGFBR1MAOAMAOBACHEMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128159-B1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2017-08-16 — — EP disclosed
US-8252431-B2 Compound wherein substituted bipyridyl group is connected with pyridoindole ring structure through phenylene group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8252431-B2 Compound wherein substituted bipyridyl group is connected with pyridoindole ring structure through phenylene group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100123388-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-05-20 — — US disclosed
US-20100123388-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-05-20 — — US disclosed
EP-2128159-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2009-12-02 — — EP 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-20100123388-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE SLCO4C1, PNPO, EPHA1 GRM5 2039/4885HTR1A 1786/4885HTR7 2817/4885

“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.

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