Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629756

SCHEMBL16629756

SCHEMBL16629756

CC1(C)c2cc(-c3cccc4ccc5cccnc5c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 7/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BACE1 P56817 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ FABP1 P07148 2/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL16629758 0.94 KDM4E (0.34) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629755 0.92 TOP1 (0.33) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16618507 0.91 TOP1 (0.33) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629649 0.90 KDM4E (0.32) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629707 0.89 KDM4E (0.33) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629656 0.89 TOP1 (0.31) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629695 0.89 KDM4E (0.35) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629650 0.88 TOP1 (0.36) TOP1KDM4EMAPTTDP1L3MBTL1
SCHEMBL16629910 0.87 TOP1 (0.30) TOP1KDM4EMAPTTDP1MEN1
SCHEMBL16629646 0.87 MMP2 (0.40) TOP1KDM4EMAPTTDP1L3MBTL1

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 721/4885KDM4E 1939/4885MAPT 2400/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 TOP1 721/4885KDM4E 1939/4885MAPT 2400/4885

“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.