SCHEMBL17348652

SCHEMBL17348652

c1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4c4ncccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.39
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TOP1 P11387 2/20 0.34
HDAC4 P56524 1/20 0.34
MMP2 P08253 1/20 0.34
ACVR1 Q04771 1/20 0.33
PIK3CD O00329 1/20 0.33
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL17348650 0.99 ALK (0.39) ALKKDM4EATML3MBTL1TOP1
SCHEMBL17348754 0.96 ALK (0.39) ALKKDM4EATML3MBTL1TOP1
SCHEMBL17348684 0.96 ALK (0.39) ALKKDM4EATML3MBTL1TOP1
SCHEMBL17348682 0.95 KDM4E (0.41) ALKKDM4EATML3MBTL1ACVR1
SCHEMBL17348661 0.94 ALK (0.38) ALKKDM4EATML3MBTL1TOP1
SCHEMBL17348750 0.93 ALK (0.38) ALKKDM4EATML3MBTL1TOP1
SCHEMBL18958631 0.92 ABCG2 (0.35) ALKKDM4EATML3MBTL1TOP1
SCHEMBL17349513 0.92 ABCG2 (0.35) ALKKDM4EATML3MBTL1TOP1
SCHEMBL19009307 0.92 ALK (0.41) ALKKDM4EATML3MBTL1TOP1
SCHEMBL18958569 0.92 ALK (0.37) ALKKDM4EATML3MBTL1TOP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO., LTD (KR) 2021-08-19 US disclosed
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2021-03-11 US disclosed
US-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2020-06-18 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
WO-2015190867-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-17 WO 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 (4 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-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALK 1907/4885KDM4E 148/4885ATM 3430/4885
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALK 1907/4885KDM4E 148/4885ATM 3430/4885
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALK 1907/4885KDM4E 148/4885ATM 3430/4885
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 ALK 1907/4885KDM4E 148/4885ATM 3430/4885

“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.