SCHEMBL19169384

SCHEMBL19169384

CC(C)c1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CCR4 P51679 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AR P10275 2/20 0.35
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAC1 P63000 1/20 0.32
▸ ALDH1A1 P00352 2/20 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
SCHEMBL19169496 0.84 ELANE (0.40) ELANEMAPTKDM4ENPSR1AR
SCHEMBL19660799 0.82 ALDH1A1 (0.38) ELANEMAPTKDM4ENPSR1GAA
SCHEMBL19161200 0.81 ELANE (0.38) ELANEMAPTKDM4ENPSR1GAA
SCHEMBL18370734 0.81 ADORA2A (0.39) ELANEMAPTKDM4EAURKAAURKB
SCHEMBL18370737 0.78 ADORA2A (0.36) ELANEKDM4EAURKAAURKBCYP1A2
SCHEMBL18370735 0.78 ADORA2A (0.36) ELANEKDM4EAURKAAURKBCYP1A2
SCHEMBL18370740 0.77 ADORA2A (0.36) ELANEKDM4EAURKAAURKBCYP1A2
SCHEMBL18370739 0.77 ADORA2A (0.36) ELANEKDM4EAURKAAURKBCYP1A2
SCHEMBL19169963 0.74 ELANE (0.40) ELANEMAPTKDM4ENPSR1AR
SCHEMBL24266824 0.72 S1PR5 (0.40) MAPTKDM4ENPSR1ARALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 ELANE 2532/4885MAPT 1589/4885KDM4E 2743/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885MAPT 1589/4885KDM4E 2743/4885

“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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