SCHEMBL16629894

SCHEMBL16629894

c1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PRKDC P78527 3/20 0.35
HPGD P15428 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM4 Q14833 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GGPS1 O95749 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
DRD4 P21917 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL16629893 0.96 ALOX5 (0.42) ALOX5PRKDCHPGDKDM4EHSD17B10
SCHEMBL16629878 0.89 ALOX5 (0.36) ALOX5PRKDCHPGDKDM4EHSD17B10
SCHEMBL16629706 0.87 MAPT (0.37) HPGDKDM4EHSD17B10GAAMAPT
SCHEMBL16629604 0.86 GAA (0.39) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL17885405 0.84 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL16629614 0.84 CCR1 (0.36) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL16629670 0.83 CYP3A4 (0.36) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL16629607 0.83 CYP3A4 (0.37) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL17945689 0.81 MAPT (0.34) HPGDKDM4EHSD17B10GAAMAPT
SCHEMBL16629603 0.81 KDM4E (0.40) HPGDKDM4EGAAMAPTALDH1A1

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 ALOX5 3677/4885PRKDC 3833/4885HPGD 1781/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALOX5 3677/4885PRKDC 3833/4885HPGD 1781/4885

“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.