Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629601

SCHEMBL16629601

SCHEMBL16629601

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccc5cccnc5c34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ABCG2 Q9UNQ0 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL16629604 0.91 GAA (0.39) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629602 0.91 HPGD (0.36) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629670 0.90 CYP3A4 (0.36) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629603 0.88 KDM4E (0.40) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629607 0.88 CYP3A4 (0.37) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629614 0.87 CCR1 (0.36) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL17946228 0.86 CYP3A4 (0.36) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629644 0.85 CYP3A4 (0.45) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629608 0.84 MAPT (0.41) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629636 0.84 GAA (0.40) CYP3A4CYP1A2GAAHPGDCYP2C19

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 CYP3A4 48/4885CYP1A2 30/4885GAA 1367/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 CYP3A4 48/4885CYP1A2 30/4885GAA 1367/4885

“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.