SCHEMBL20180842

SCHEMBL20180842

c1ccc(B2N(c3ccccc3)B(c3ccccc3)N3B(N2c2ccccc2)N(c2ccccc2)B(c2ccc(-c4cccc5c4sc4ccccc45)cc2)N3c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PRKDC P78527 4/20 0.34
PARP14 Q460N5 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31
ADK P55263 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
SCHEMBL20180756 0.84 ALOX5 (0.50) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL20180782 0.84 ALOX5 (0.50) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL20734185 0.80 ALOX5 (0.50) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL20180644 0.78 ALOX5 (0.48) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL20734251 0.76 ALOX5 (0.41) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL20180605 0.74 ALOX5 (0.38) ALOX5PRKDC
SCHEMBL20180795 0.74 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL21152361 0.71 ALOX5 (0.70) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL17117671 0.69 ALOX5 (0.64) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL18435735 0.69 ALOX5 (0.64) 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.