SCHEMBL19161633

SCHEMBL19161633

CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2sc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGER4 P35408 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ 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
SCHEMBL19161281 0.94 ATM (0.37) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL19169966 0.86 PTGER4 (0.40) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL16905846 0.84 ATM (0.39) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL18553254 0.84 KDM4E (0.39) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL17252983 0.82 ATM (0.38) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16905738 0.82 ATM (0.39) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL19106420 0.82 ATM (0.37) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL16905630 0.82 KDM4E (0.37) ATMKDM4EL3MBTL1PTGER4NPY5R
SCHEMBL19161965 0.82 KDM4E (0.37) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL16905749 0.81 ATM (0.38) ATMKDM4EL3MBTL1PTGER4NPY5R

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 ATM 2136/4885KDM4E 2743/4885L3MBTL1 2519/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ATM 2136/4885KDM4E 2743/4885L3MBTL1 2519/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 ATM 2136/4885KDM4E 2743/4885L3MBTL1 2519/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ATM 2136/4885KDM4E 2743/4885L3MBTL1 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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