SCHEMBL20180707

SCHEMBL20180707

C1=CN2B(c3cccc(-c4cccc5c4sc4ccccc45)c3)SB(c3cccc(-c4cccc5c4sc4ccccc45)c3)N2C=C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PRKDC P78527 7/20 0.38
PARP14 Q460N5 1/20 0.36
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRDT Q58F21 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
DNPH1 O43598 1/20 0.31
GPR3 P46089 1/20 0.31
F9 P00740 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
SCHEMBL12996531 0.77 ALOX5 (0.71) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL29511967 0.75 ALOX5 (0.69) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL1687975 0.75 ALOX5 (0.69) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL17827359 0.75 ALOX5 (0.69) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL429390 0.74 ALOX5 (0.67) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL1278381 0.73 ALOX5 (0.61) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL30152040 0.73 ALOX5 (0.61) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL12996536 0.72 ALOX5 (0.65) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL430148 0.72 ALOX5 (0.65) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL29892311 0.72 ALOX5 (0.65) ALOX5PRKDCPARP14PIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-08-09 US disclosed
US-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2018-05-24 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 (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-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device SLC43A1, SLC6A19, AOC3 ALOX5 4442/4885PRKDC 4299/4885PARP14 2896/4885
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO4C1, SLCO2A1, SLCO2B1 ALOX5 2028/4885PRKDC 4674/4885PARP14 2526/4885

“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.