SCHEMBL21452049

SCHEMBL21452049

CC(C)(C)c1ccc(-n2c3cc(N(c4ccccc4)c4cccc(C#N)c4)ccc3c3cc4ccc(N(c5ccccc5)c5cccc(C#N)c5)cc4cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ PPARG P37231 5/20 0.33
▸ PER2 O15055 1/20 0.32
▸ CRY1 Q16526 1/20 0.32
▸ CRY2 Q49AN0 1/20 0.32
▸ TDP2 O95551 2/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ MAT2A P31153 2/20 0.31
▸ KIF11 P52732 2/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CSNK1G2 P78368 1/20 0.30
▸ SLC22A12 Q96S37 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
SCHEMBL21452165 0.94 KIF11 (0.36) CCR9PPARGTDP2PPARAKIF11
SCHEMBL23029156 0.94 KIF11 (0.36) CCR9PPARGTDP2PPARAKIF11
SCHEMBL21452043 0.91 KIF11 (0.37) CCR9GRM2PPARGTDP2MAT2A
SCHEMBL21452161 0.90 CCR9 (0.33) CCR9GRM2KIF11
SCHEMBL23029042 0.90 PPARG (0.35) NR1H4PPARGPPARAMAT2AKIF11
SCHEMBL21452176 0.90 PPARG (0.35) NR1H4PPARGPPARAMAT2AKIF11
SCHEMBL21452024 0.88 MAT2A (0.34) NR1H4PPARGPPARAMAT2AKIF11
SCHEMBL21452027 0.86 MAT2A (0.35) NR1H4PPARGPPARAMAT2AKIF11
SCHEMBL23029198 0.86 TDP2 (0.35) KCNN4KCNA5PER2CRY1CRY2
SCHEMBL23029121 0.86 PPARG (0.34) PPARGPPARAKIF11

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 CCR9 3313/4885GRM2 1786/4885NR1H4 450/4885

“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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