SCHEMBL21452047

SCHEMBL21452047

Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccccc6C#N)cc5n(-c5ccccc5)c4cc3c2)c2ccccc2C#N)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ KLK7 P49862 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
SCHEMBL23029028 0.84 TP53 (0.32) MAT2AKDM4EALDH1A1HPGD
SCHEMBL21452053 0.81 KDM4E (0.31) MAT2AKDM4EALDH1A1GAA
SCHEMBL21451755 0.80 TDP2 (0.38) MAT2AKDM4EALDH1A1TDP2
SCHEMBL23029041 0.79 ALDH1A1 (0.38) KDM4EALDH1A1GAAHPGD
SCHEMBL21451741 0.79 KDM4E (0.35) MAT2AKDM4EALDH1A1
SCHEMBL24088811 0.79 MAOB (0.33) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL21452120 0.79 ALDH1A1 (0.36) KDM4EALDH1A1HPGDRECQLHSD17B10
SCHEMBL21452058 0.78 KDM4E (0.33) MAT2AKDM4EALDH1A1GAA
SCHEMBL23029181 0.78 KDM4E (0.41) MAT2AKDM4EALDH1A1HSD17B10
SCHEMBL23029198 0.78 TDP2 (0.35) MAT2ATDP2

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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 — — US disclosed
WO-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 — — WO 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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, RNF10, DRD2 MAT2A 1163/4885KDM4E 2073/4885ALDH1A1 216/4885

“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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