SCHEMBL20172782

SCHEMBL20172782

CN(c1ccc(-c2ccccc2)cc1-c1ccccc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PIM3 Q86V86 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LIMK1 P53667 2/20 0.35
PARP14 Q460N5 1/20 0.35
F9 P00740 1/20 0.35
MAPT P10636 2/20 0.34
PTPN1 P18031 1/20 0.34
GPR3 P46089 1/20 0.33
ITGA4 P13612 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
ACLY P53396 1/20 0.32
SLC9A1 P19634 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 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
SCHEMBL20172778 0.88 ALOX5 (0.44) ALOX5TNKSTNKS2LIMK1PARP14
SCHEMBL22435665 0.85 ALOX5 (0.41) ALOX5TNKSTNKS2PIM3PIM1
SCHEMBL20172786 0.84 TNKS (0.39) ALOX5TNKSTNKS2PIM3PIM1
SCHEMBL22435664 0.84 ALOX5 (0.40) ALOX5TNKSTNKS2PIM3PIM1
SCHEMBL20172781 0.83 ALOX5 (0.40) ALOX5TNKSTNKS2PIM3PIM1
SCHEMBL20733887 0.83 GPR3 (0.48) ALOX5TNKSTNKS2PIM1PIM2
SCHEMBL22435666 0.83 ALOX5 (0.40) ALOX5TNKSTNKS2PIM3LIMK1
SCHEMBL22435661 0.82 ALOX5 (0.39) ALOX5TNKSTNKS2PIM3LIMK1
SCHEMBL22435646 0.81 ALOX5 (0.38) ALOX5TNKSTNKS2PIM3LIMK1
SCHEMBL22435656 0.81 ALOX5 (0.41) ALOX5TNKSTNKS2PIM3LIMK1

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.