SCHEMBL21691622

SCHEMBL21691622

N#Cc1cc(C#N)cc(-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4sc5ccccc5c34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PARP14 Q460N5 1/20 0.36
GPR3 P46089 1/20 0.34
PRKDC P78527 3/20 0.34
BRDT Q58F21 2/20 0.32
PIK3CD O00329 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
LIMK1 P53667 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.30
TNKS O95271 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
SCHEMBL21693179 0.95 ALOX5 (0.44) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL21691616 0.93 ALOX5 (0.44) ALOX5PARP14GPR3PRKDCALDH1A1
SCHEMBL21692482 0.92 ALOX5 (0.52) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL21693074 0.92 GPR3 (0.36) ALOX5GPR3BRDTALDH1A1MAPT
SCHEMBL21691614 0.92 ALOX5 (0.48) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL19084352 0.91 ALOX5 (0.54) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL16016629 0.89 ALOX5 (0.55) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL16016652 0.89 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL21693178 0.89 ALOX5 (0.43) ALOX5PARP14GPR3PRKDCBRDT
SCHEMBL21692406 0.88 ALDH1A1 (0.36) ALOX5GPR3BRDTLIMK1ALDH1A1

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ALOX5 2220/4885PARP14 1715/4885GPR3 1463/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ALOX5 2220/4885PARP14 1715/4885GPR3 1463/4885

“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.