SCHEMBL16629625

SCHEMBL16629625

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccc(-c5cccc6ccc7cccnc7c56)cc4c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.33
METAP2 P50579 1/20 0.33
LIMK1 P53667 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3R2 O00459 1/20 0.31
NPY5R Q15761 1/20 0.30
PIM3 Q86V86 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
SCHEMBL16629635 0.93 KDM4E (0.33) ALKMETAP2KDM4EMEN1ALDH1A1
SCHEMBL16629623 0.89 ALK (0.36) ALKMETAP2KDM4EALDH1A1LMNA
SCHEMBL16629631 0.88 KDM4E (0.38) ALKMETAP2KDM4EALDH1A1LMNA
SCHEMBL16629609 0.88 CCR1 (0.35) ALKMETAP2KDM4EMEN1LMNA
SCHEMBL16629624 0.87 ALK (0.33) ALKMETAP2KDM4EALDH1A1MAPT
SCHEMBL17945947 0.86 ALK (0.35) ALKMETAP2KDM4EMEN1LMNA
SCHEMBL21622842 0.86 LIMK1 (0.41) ALKLIMK1ROCK1KDM4EMEN1
SCHEMBL17946241 0.86 METAP2 (0.36) ALKMETAP2KDM4ELMNAMAPT
SCHEMBL16629621 0.83 ALK (0.34) ALKMETAP2PIK3R2NPY5R
SCHEMBL17946125 0.82 ALK (0.36) ALKMETAP2KDM4ELMNAMAPT

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 3484/4885LIMK1 3526/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALK 1679/4885METAP2 3484/4885LIMK1 3526/4885

“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.