SCHEMBL16629683

SCHEMBL16629683

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5ccc6cccnc6c45)c3cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 1/20 0.32
CCR1 P32246 4/20 0.31
CCR8 P51685 4/20 0.31
CCR5 P51681 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL17945949 0.96 MAPT (0.36) MAPTKDM4ENPSR1CYP3A4CYP1A2
SCHEMBL16629645 0.96 MAPT (0.36) MAPTKDM4ENPSR1CYP3A4CYP1A2
SCHEMBL16629618 0.94 KDM4E (0.33) MAPTKDM4ENPSR1CYP3A4CYP1A2
SCHEMBL16629615 0.91 METAP2 (0.30)
SCHEMBL17946128 0.91 METAP2 (0.30)
SCHEMBL16629639 0.91 KDM4E (0.35) MAPTKDM4ENPSR1CYP3A4CYP1A2
SCHEMBL16629641 0.90 MAPT (0.36) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL16629676 0.90 NPY5R (0.32) MAPTKDM4ENPSR1CYP3A4CYP1A2
SCHEMBL16629767 0.89 EGLN1 (0.30) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL16629771 0.89 EGLN1 (0.30) MAPTKDM4EMEN1KMT2AMAPK1

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 6 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-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
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 MAPT 2400/4885KDM4E 1939/4885NPSR1 1205/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 MAPT 2400/4885KDM4E 1939/4885NPSR1 1205/4885

“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.