SCHEMBL16629893

SCHEMBL16629893

c1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PRKDC P78527 3/20 0.38
GGPS1 O95749 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM4 Q14833 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
METAP2 P50579 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL16629894 0.96 ALOX5 (0.39) ALOX5PRKDCGGPS1HPGDKDM4E
SCHEMBL16629614 0.88 CCR1 (0.36) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL16629706 0.87 MAPT (0.37) HPGDKDM4EHSD17B10GAAMAPT
SCHEMBL16629878 0.86 ALOX5 (0.36) ALOX5PRKDCGGPS1HPGDKDM4E
SCHEMBL16629604 0.85 GAA (0.39) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL10165766 0.83 ALOX5 (0.51) ALOX5PRKDCGGPS1HPGDKDM4E
SCHEMBL781217 0.83 ALOX5 (0.51) ALOX5PRKDCGGPS1ALDH1A1PIK3CD
SCHEMBL17248361 0.83 ALOX5 (0.51) ALOX5PRKDCGGPS1ALDH1A1PIK3CD
SCHEMBL17946226 0.83 CCR1 (0.40) HPGDKDM4EGAAMAPTALDH1A1
SCHEMBL13830071 0.83 ALOX5 (0.56) ALOX5PRKDCGGPS1ALDH1A1PIK3CD

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 3833/4885GGPS1 3228/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALOX5 3677/4885PRKDC 3833/4885GGPS1 3228/4885

“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.