SCHEMBL20172778

SCHEMBL20172778

CN(c1ccccc1-c1ccccc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PARP14 Q460N5 1/20 0.42
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
F9 P00740 1/20 0.38
GPR3 P46089 1/20 0.38
LIMK1 P53667 2/20 0.36
MAPT P10636 2/20 0.35
SLC9A1 P19634 2/20 0.35
PRKDC P78527 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CRHR1 P34998 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL20733887 0.89 GPR3 (0.48) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL20172782 0.88 ALOX5 (0.43) ALOX5PARP14TNKSTNKS2F9
SCHEMBL24471800 0.85 ALOX5 (0.44) ALOX5PARP14TNKSTNKS2F9
SCHEMBL20650284 0.84 ALOX5 (0.43) ALOX5PARP14TNKSTNKS2F9
SCHEMBL20172781 0.84 ALOX5 (0.40) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL2742930 0.83 GPR3 (0.42) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL25637705 0.83 LIMK1 (0.36) ALOX5PARP14TNKSTNKS2F9
SCHEMBL20172780 0.81 SIGMAR1 (0.45) ALOX5PARP14GPR3MAPTCYP1A2
SCHEMBL20172866 0.81 GPR3 (0.41) ALOX5PARP14GPR3MAPTCYP1A2
SCHEMBL20172786 0.81 TNKS (0.39) ALOX5PARP14TNKSTNKS2GPR3

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ALOX5 695/4885PARP14 3288/4885TNKS 4088/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALOX5 2172/4885PARP14 4124/4885TNKS 4534/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALOX5 695/4885PARP14 3288/4885TNKS 4088/4885

“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.