SCHEMBL21098947

SCHEMBL21098947

C=N/C(=C\C=C/C)c1cc(-c2ccccn2)cc(-c2cccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ ADORA3 P0DMS8 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL21099046 0.89 DHODH (0.34) BRD4HIF1AKAT6APDK2MAPK14
SCHEMBL22650171 0.86 KDM4E (0.36) HIF1AKAT6AKDM4ENPC1ALDH1A1
SCHEMBL22147418 0.83 CNR1 (0.37) SIRT2SCN9AKAT6ASCN5AKDM4E
SCHEMBL22085115 0.82 MAPK1 (0.38) MAPK14ADORA3KDM4ENPC1ALDH1A1
SCHEMBL21098931 0.82 SMN1; SMN2 (0.41) SIRT2HIF1AKDM4ENPC1ALDH1A1
SCHEMBL20169564 0.80 KDM4E (0.37) KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL20169567 0.79 KAT6A (0.35) SCN9AHIF1AKAT6AKDM4ETP53
SCHEMBL23921477 0.79 CCR1 (0.34) —
SCHEMBL20195362 0.78 SMN1; SMN2 (0.41) SIRT2SCN9AHIF1ASCN5AKDM4E
SCHEMBL23193559 0.77 SERPINE1 (0.32) KDM4EALDH1A1TP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323006-B2 Heterocyclic compound and organic light emitting element using same LG CHEM, LTD. (KR) 2019-06-18 — — 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 (1 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-10323006-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, NR2E3 SIRT2 1186/4885BRD4 452/4885SCN9A 3091/4885

“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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