SCHEMBL17405345

SCHEMBL17405345

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5n4)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.33
ALOX5 P09917 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17405357 0.94 PRKDC (0.34) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL17405349 0.93 PRKDC (0.33) PRKDCPIK3CDPIK3CB
SCHEMBL17405342 0.88 ALOX5 (0.35) PRKDCALOX5PIK3CDPIK3CBKDM4E
SCHEMBL17405338 0.88 ALOX5 (0.39) PRKDCALOX5PIK3CDPIK3CBKDM4E
SCHEMBL17405343 0.87 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL17405347 0.87 KDM4E (0.30) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL17661403 0.86 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL17405335 0.86 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL17406082 0.86 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL17405341 0.86 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDNPSR1

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 PRKDC 4282/4885ALOX5 103/4885PIK3CD 3679/4885

“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.