SCHEMBL17899353

SCHEMBL17899353

c1cc(-c2cnc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)nc43)c2)cc(-c2cnc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)nc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.36
PARP14 Q460N5 1/20 0.34
DNPH1 O43598 1/20 0.33
MAPT P10636 1/20 0.33
PARP1 P09874 1/20 0.33
LIMK1 P53667 4/20 0.33
PRKDC P78527 5/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
F9 P00740 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BIRC5 O15392 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
SCHEMBL15582267 0.88 ALOX5 (0.47) ALOX5PARP14DNPH1MAPTPARP1
SCHEMBL25850723 0.87 KDM4E (0.39) ALOX5KDM4EPARP14DNPH1MAPT
SCHEMBL15582129 0.85 ALOX5 (0.41) ALOX5KDM4EPARP14MAPTHTT
SCHEMBL15582254 0.85 ALOX5 (0.47) ALOX5PARP14MAPTLIMK1PRKDC
SCHEMBL21622606 0.85 ALOX5 (0.48) ALOX5KDM4EPARP14DNPH1MAPT
SCHEMBL15582272 0.84 ALOX5 (0.49) ALOX5KDM4EPARP14MAPTPRKDC
SCHEMBL17899351 0.84 KDM4E (0.36) ALOX5KDM4EPARP1LIMK1PIK3CD
SCHEMBL15582280 0.84 ALOX5 (0.46) ALOX5PARP14MAPTLIMK1PRKDC
SCHEMBL19767385 0.83 ALOX5 (0.53) ALOX5KDM4EPARP14DNPH1MAPT
SCHEMBL15582268 0.82 ALOX5 (0.45) ALOX5PARP14MAPTLIMK1PRKDC

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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 ALOX5 3743/4885KDM4E 1912/4885PARP14 4519/4885

“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.