SCHEMBL17405308

SCHEMBL17405308

c1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6oc5c5c(c6ccccc6n5-c5ccccc5)c43)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
NTRK1 P04629 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK8 P45983 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL17405263 0.91 NPC1 (0.41) RECQLHTTMAPK1RAB9ALMNA
SCHEMBL17405258 0.89 ALDH1A1 (0.38) RECQLPRKACARPS6KB1GSK3BROCK1
SCHEMBL17405293 0.88 ESR1 (0.43) RECQLESR1ESR2PRKACARPS6KB1
SCHEMBL17405297 0.88 ESR1 (0.50) RECQLESR1ESR2PRKACARPS6KB1
SCHEMBL17405282 0.88 ESR1 (0.47) RECQLESR1ESR2PRKACARPS6KB1
SCHEMBL17405305 0.87 ALDH1A1 (0.41) RECQLHTTMAPK1RAB9ALMNA
SCHEMBL17405283 0.87 MAPK1 (0.49) HTTMAPK1LMNAKMT2AMAPT
SCHEMBL17405252 0.85 ESR1 (0.42) RECQLESR1ESR2PRKACARPS6KB1
SCHEMBL17405306 0.85 ESR1 (0.45) RECQLESR1ESR2PRKACARPS6KB1
SCHEMBL17405285 0.84 MAPK1 (0.54) HTTMAPK1RAB9ALMNAKMT2A

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-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 RECQL 2711/4885ESR1 29/4885ESR2 331/4885

“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.