SCHEMBL16629906

SCHEMBL16629906

c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4cnc5cccnc5c34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
TOP1 P11387 5/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BIRC5 O15392 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
GRM4 Q14833 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL16629916 0.94 CYP1A2 (0.38) NPC1TOP1CYP2A6POLBRAB9A
SCHEMBL16629736 0.86 KDM4E (0.37) NPC1TOP1POLBRAB9AKDM4E
SCHEMBL16629651 0.86 CYP1A2 (0.39) NPC1TOP1CYP2A6POLBRAB9A
SCHEMBL16629700 0.79 LMNA (0.42) TOP1RAB9AKDM4EMTOR
SCHEMBL16629905 0.79 TOP1 (0.33) NPC1TOP1CYP2A6BIRC5GRM4
SCHEMBL17945734 0.79 KDM4E (0.37) TOP1RAB9AKDM4EMTOR
SCHEMBL16629739 0.78 KDM4E (0.41) NPC1TOP1POLBRAB9AKDM4E
SCHEMBL25713098 0.78 TRPV1 (0.32) TOP1KDM4E
SCHEMBL25713165 0.78 TRPV1 (0.32) TOP1KDM4E
SCHEMBL16629907 0.77 TOP1 (0.34) NPC1TOP1CYP2A6PDGFRBPDGFRA

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
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 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 (2 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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 NPC1 3446/4885TOP1 721/4885CYP2A6 771/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 NPC1 3446/4885TOP1 721/4885CYP2A6 771/4885

“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.