SCHEMBL16629916

SCHEMBL16629916

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cnc5cccnc5c34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.38
TOP1 P11387 6/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAOB P27338 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
BIRC5 O15392 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
SCHEMBL16629906 0.94 NPC1 (0.36) CYP1A2NPC1TOP1KDM4ECYP2A6
SCHEMBL16629651 0.91 CYP1A2 (0.39) CYP1A2NPC1TOP1KDM4ECYP2A6
SCHEMBL16629700 0.84 LMNA (0.42) TOP1KDM4ERAB9A
SCHEMBL16629739 0.81 KDM4E (0.41) NPC1TOP1KDM4EPOLBRAB9A
SCHEMBL16629736 0.79 KDM4E (0.37) NPC1TOP1KDM4EPOLBRAB9A
SCHEMBL17945734 0.79 KDM4E (0.37) TOP1KDM4ERAB9A
SCHEMBL16629907 0.78 TOP1 (0.34) CYP1A2NPC1TOP1KDM4ECYP2A6
SCHEMBL16629654 0.77 TOP1 (0.34) CYP1A2NPC1TOP1KDM4ECYP2A6
SCHEMBL16629696 0.76 MMP2 (0.40) TOP1KDM4E
SCHEMBL16629643 0.75 LMNA (0.47) KDM4ESLC40A1RAB9A

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 CYP1A2 30/4885NPC1 3446/4885TOP1 721/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 CYP1A2 30/4885NPC1 3446/4885TOP1 721/4885

“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.