SCHEMBL19239443

SCHEMBL19239443

c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4c3c3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c3c3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
TSHR P16473 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL24151977 0.91 TSHR (0.36) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL22036069 0.90 DUSP3 (0.31) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL21388917 0.90 TSHR (0.35) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL17524725 0.90 DUSP3 (0.33) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL22737772 0.89 TSHR (0.35) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL19239276 0.88 TSHR (0.33) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL22036725 0.88 BACE1 (0.31) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL24154658 0.88 MAPT (0.36) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL19239435 0.88 KDM4E (0.35) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL17524701 0.88 KDM4E (0.35) MAPTTSHRKDM4EALDH1A1MAPK1

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-9876181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-9876181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-17 US 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 (1 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-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ETFA, TST MAPT 543/4885TSHR 4442/4885KDM4E 1629/4885

“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.