Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629631

SCHEMBL16629631

SCHEMBL16629631

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6ccc7cccnc7c56)c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ METAP2 P50579 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL16629609 0.98 CCR1 (0.35) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL16629623 0.97 ALK (0.36) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL16629622 0.94 METAP2 (0.39) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL17946241 0.92 METAP2 (0.36) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL21622513 0.90 SIRT2 (0.37) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL16629635 0.90 KDM4E (0.33) KDM4EMETAP2ALDH1A1MAPTLMNA
SCHEMBL16629610 0.88 METAP2 (0.36) KDM4EATML3MBTL1METAP2TSHR
SCHEMBL17945947 0.88 ALK (0.35) KDM4EL3MBTL1METAP2TSHRHTT
SCHEMBL17946125 0.88 ALK (0.36) KDM4EMETAP2TSHRHTTMAPT
SCHEMBL16629624 0.88 ALK (0.33) KDM4EMETAP2TSHRALDH1A1MAPT

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 KDM4E 1939/4885ATM 1799/4885L3MBTL1 2372/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885ATM 1799/4885L3MBTL1 2372/4885

“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.