SCHEMBL20172781

SCHEMBL20172781

CN(c1ccc(-c2ccccc2)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GPR3 P46089 1/20 0.37
CHKA P35790 5/20 0.36
PARP14 Q460N5 1/20 0.35
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PDE5A O76074 2/20 0.33
APP P05067 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2742930 0.91 GPR3 (0.42) ALOX5TNKSTNKS2GPR3CHKA
SCHEMBL20172786 0.89 TNKS (0.39) ALOX5TNKSTNKS2GPR3CHKA
SCHEMBL16837426 0.87 ALOX5 (0.38) ALOX5TNKSTNKS2GPR3CHKA
SCHEMBL21021046 0.87 GPR3 (0.38) ALOX5TNKSTNKS2GPR3PARP14
SCHEMBL21020583 0.85 HRH1 (0.39) ALOX5GPR3PARP14MAPTNPC1
SCHEMBL15964514 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3PARP14
SCHEMBL15964352 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3PARP14
SCHEMBL15964350 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3PARP14
SCHEMBL17126441 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3PARP14
SCHEMBL6372548 0.85 ALOX5 (0.42) ALOX5TNKSTNKS2GPR3PARP14

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 695/4885TNKS 4088/4885TNKS2 4015/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALOX5 2172/4885TNKS 4534/4885TNKS2 4101/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALOX5 695/4885TNKS 4088/4885TNKS2 4015/4885

“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.