Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629875

SCHEMBL16629875

SCHEMBL16629875

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ncc6cccnc6c45)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ 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
▸ MAOB P27338 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ MET P08581 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL16629898 0.92 TOP1 (0.33) TOP1NPC1NPY5RPIK3CDPIK3CA
SCHEMBL16629881 0.91 CYP17A1 (0.35) NPC1NPY5RPIK3CDPIK3CAPIK3CB
SCHEMBL16629670 0.87 CYP3A4 (0.36) NPY5RMTORMETTSPOCYP1A2
SCHEMBL16629904 0.86 NPY5R (0.31) NPY5R
SCHEMBL16629604 0.81 GAA (0.39) NPC1NPY5RMTORCYP1A2CYP3A4
SCHEMBL16629601 0.80 CYP3A4 (0.35) NPY5RMTORMETCYP1A2CYP3A4
SCHEMBL16629602 0.80 HPGD (0.36) TOP1NPY5RMAOBCYP1A2CYP3A4
SCHEMBL16629603 0.79 KDM4E (0.40) NPY5RMTORCYP1A2CYP3A4GAA
SCHEMBL16629900 0.79 KDM4E (0.33) NPY5R
SCHEMBL24525921 0.78 CYP2C19 (0.39) NPY5RTSPOCYP1A2CYP3A4GAA

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 TOP1 721/4885NPC1 3446/4885NPY5R 3215/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 TOP1 721/4885NPC1 3446/4885NPY5R 3215/4885

“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.