SCHEMBL20172776

SCHEMBL20172776

CN(c1ccc2ccccc2c1)c1cccc2c1sc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALOX5 P09917 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
GPR3 P46089 1/20 0.35
MCL1 Q07820 1/20 0.35
PARP14 Q460N5 1/20 0.34
DHFR P00374 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
INSR P06213 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
SCHEMBL21096878 0.86 ALOX5 (0.38) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL2742930 0.82 GPR3 (0.42) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL20733887 0.82 GPR3 (0.48) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL21021046 0.81 GPR3 (0.38) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL24472259 0.81 ALOX5 (0.40) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL20172780 0.81 SIGMAR1 (0.45) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL21021052 0.81 GPR3 (0.35) MAPTALOX5L3MBTL1GPR3PARP14
SCHEMBL20172786 0.81 TNKS (0.39) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL24471654 0.80 ALOX5 (0.36) MAPTALOX5L3MBTL1ATMGPR3
SCHEMBL20172781 0.80 ALOX5 (0.40) MAPTALOX5GPR3PARP14RAB9A

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 MAPT 754/4885ALOX5 695/4885L3MBTL1 349/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MAPT 1486/4885ALOX5 2172/4885L3MBTL1 1639/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MAPT 754/4885ALOX5 695/4885L3MBTL1 349/4885

“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.