Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629623

SCHEMBL16629623

SCHEMBL16629623

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc(-c4cccc5ccc6cccnc6c45)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 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
▸ MAPT P10636 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL16629631 0.97 KDM4E (0.38) ALKMETAP2PDE10AKDM4EATM
SCHEMBL16629609 0.97 CCR1 (0.35) ALKMETAP2PDE10AKDM4EATM
SCHEMBL17946241 0.95 METAP2 (0.36) ALKMETAP2KDM4EATML3MBTL1
SCHEMBL17946125 0.92 ALK (0.36) ALKMETAP2KDM4EBRD4HTT
SCHEMBL16629622 0.91 METAP2 (0.39) ALKMETAP2PDE10AKDM4EATM
SCHEMBL16629635 0.89 KDM4E (0.33) ALKMETAP2KDM4ENPY5RLMNA
SCHEMBL16629624 0.89 ALK (0.33) ALKMETAP2KDM4ENPY5RTSHR
SCHEMBL16629625 0.89 ALK (0.33) ALKMETAP2KDM4ENPY5RLMNA
SCHEMBL17945947 0.88 ALK (0.35) ALKMETAP2KDM4EL3MBTL1BRD4
SCHEMBL21622513 0.87 SIRT2 (0.37) ALKMETAP2KDM4EATML3MBTL1

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 ALK 1679/4885METAP2 3484/4885PDE10A 3886/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALK 1679/4885METAP2 3484/4885PDE10A 3886/4885

“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.