SCHEMBL16629902

SCHEMBL16629902

CC1(C)c2ccccc2-n2c3ccc(-c4cccc5ccc6cccnc6c45)cc3c3cccc1c32

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
FABP1 P07148 3/20 0.33
CCR1 P32246 4/20 0.33
CCR8 P51685 4/20 0.33
CCR5 P51681 3/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
AKT1 P31749 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16629705 0.82 MAPT (0.34) MAPTKDM4ENPSR1FABP1CCR1
SCHEMBL16629614 0.82 CCR1 (0.36) MAPTKDM4ENPSR1BRD4FABP1
SCHEMBL13371453 0.82 AKT1 (0.37) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL16629676 0.82 NPY5R (0.32) MAPTKDM4ENPSR1BRD4AVPR2
SCHEMBL17946226 0.82 CCR1 (0.40) MAPTKDM4ENPSR1BRD4FABP1
SCHEMBL13371011 0.82 MEN1 (0.40) MAPTKDM4EAVPR2AVPR1AMEN1
SCHEMBL13353708 0.81 ERBB2 (0.34) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL16629903 0.81 CYP3A4 (0.33) MAPTKDM4ENPSR1BRD4FABP1
SCHEMBL16629632 0.81 METAP2 (0.33) MAPTMETAP2HTTALDH1A1
SCHEMBL13371400 0.80 MEN1 (0.36) MAPTKDM4EMEN1KMT2AHTT

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 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.