SCHEMBL21436780

SCHEMBL21436780

Cc1ccccc1Nc1cccc(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.67
ABCG2 Q9UNQ0 4/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ACP1 P24666 2/20 0.45
KCNA5 P22460 1/20 0.45
EGFR P00533 1/20 0.45
TP53 P04637 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
TBXA2R P21731 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL30679771 1.00 SLC2A1 (0.67) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL18762341 0.82 ABCG2 (0.53) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL9429347 0.82 DDX3X (0.56) SLC2A1ALDH1A1KDM4EGAAMAPT
SCHEMBL16481495 0.81 ALDH1A1 (0.49) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL2563728 0.81 ALDH1A1 (0.54) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL16481061 0.80 SYK (0.52) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL890934 0.80 GAA (0.64) SLC2A1ABCG2ALDH1A1KDM4EGAA
SCHEMBL953597 0.80 ALDH1A1 (0.56) SLC2A1ABCG2ALDH1A1MAPTKCNA5
SCHEMBL17079595 0.79 DDX3X (0.73) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL17079636 0.79 ALDH1A1 (0.71) SLC2A1ALDH1A1KDM4EMAPTMEN1

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
CN-111868028-B Amine compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-08 CN disclosed
US-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 US disclosed
CN-111868028-A Amine compound and organic light emitting device including the same 株式会社LG化学 2020-10-30 CN disclosed
WO-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 WO 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 SLC2A1 4380/4885ABCG2 2408/4885ALDH1A1 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.