SCHEMBL3320940

SCHEMBL3320940

Brc1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccccn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.51
CCR5 P51681 3/20 0.51
CCR8 P51685 3/20 0.51
MCL1 Q07820 6/20 0.51
KDM4E B2RXH2 6/20 0.50
LMNA P02545 4/20 0.50
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47

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
SCHEMBL3315795 0.97 MCL1 (0.56) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL19320191 0.97 MCL1 (0.56) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL4401831 0.97 MCL1 (0.56) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL3319965 0.97 MCL1 (0.56) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL29505007 0.97 CCR1 (0.55) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL21849866 0.97 CCR1 (0.55) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL3596420 0.97 CCR1 (0.55) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL30943427 0.97 CCR1 (0.55) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL30943430 0.97 CCR1 (0.55) CCR1CCR5CCR8MCL1KDM4E
SCHEMBL19138779 0.92 MCL1 (0.57) CCR1CCR5CCR8MCL1KDM4E

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 4 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-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 CCR1 2004/4885CCR5 1103/4885CCR8 3283/4885

“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.