SCHEMBL19161630

SCHEMBL19161630

CC(C)(C)c1nc(-n2c3ccccc3c3ccccc32)c2c(n1)sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.35
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ PTPN7 P35236 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL19169218 0.82 GPR55 (0.48) ELANEGPR55MAPTKDM4EGAA
SCHEMBL16905633 0.81 ELANE (0.39) ELANEGPR55MAPTKDM4EGAA
SCHEMBL19161194 0.79 HRH4 (0.43) MAPTKDM4ENPSR1ALDH1A1MEN1
SCHEMBL24627146 0.77 ELANE (0.41) ELANEGPR55MAPTKDM4EGAA
SCHEMBL19162602 0.77 ELANE (0.41) ELANEGPR55MAPTKDM4EGAA
SCHEMBL16905627 0.77 KDM4E (0.39) ELANEGPR55MAPTKDM4EGAA
SCHEMBL19162693 0.77 KDM4E (0.37) ELANEMAPTKDM4ENPSR1ALDH1A1
SCHEMBL19161965 0.77 KDM4E (0.37) ELANEMAPTKDM4ENPSR1ALDH1A1
SCHEMBL19161968 0.76 ELANE (0.36) ELANEGPR55MAPTKDM4EGAA
SCHEMBL25016500 0.76 ELANE (0.40) ELANEGPR55MAPTKDM4EGAA

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 ELANE 2532/4885GPR55 3466/4885MAPT 1589/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885GPR55 3466/4885MAPT 1589/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 ELANE 2532/4885GPR55 3466/4885MAPT 1589/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885GPR55 3466/4885MAPT 1589/4885

“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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