SCHEMBL12011908

SCHEMBL12011908

c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ncccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ncccc54)c3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
GRM5 P41594 13/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.36

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
SCHEMBL12011888 0.97 GRM5 (0.41) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011894 0.97 GRM5 (0.41) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011767 0.97 GRM5 (0.40) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011870 0.96 GRM5 (0.39) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011922 0.95 HTR1A (0.37) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011904 0.95 GRM5 (0.41) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011916 0.95 GRM5 (0.36) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011925 0.94 HTR1A (0.40) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011796 0.94 SIRT2 (0.38) HTR1AHTR7GRM5CCR1CCR5
SCHEMBL12011823 0.92 HTR1A (0.34) HTR1AHTR7GRM5CCR1CCR5

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 HTR1A 1786/4885HTR7 2817/4885GRM5 2039/4885

“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.