SCHEMBL19161965

SCHEMBL19161965

CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(n1)sc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ NPY5R Q15761 1/20 0.32
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ ELANE P08246 1/20 0.30

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
SCHEMBL19162693 0.94 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL19169781 0.86 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16905628 0.85 KDM4E (0.40) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16905738 0.84 ATM (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17305872 0.84 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16905749 0.83 ATM (0.38) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16905846 0.82 ATM (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL19161633 0.82 ATM (0.37) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16905630 0.82 KDM4E (0.37) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL16905750 0.81 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 — — US disclosed
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2019-07-09 — — US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 — — US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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 (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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885

“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.

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