SCHEMBL25453952

SCHEMBL25453952

Cc1nc(-c2cccc(Cc3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)c2)cc(-c2cccc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ CTRC Q99895 1/20 0.38
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ PSD A5PKW4 2/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ RAC1 P63000 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ ACACA Q13085 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL16805055 0.85 PIM1 (0.53) CYP1A1CYP1B1PIM1MAOAMAOB
SCHEMBL18731813 0.81 KMT2A (0.48) MAOAMAOBENPP3ENPP1CYP1A2
SCHEMBL22213031 0.78 EGLN1 (0.39) MAOAMAOBENPP3EGLN1MEN1
SCHEMBL19164681 0.77 ENPP1 (0.57) ENPP3ENPP1PPARGPPARAFLT3
SCHEMBL18731957 0.77 CYP1A1 (0.69) CYP1A1CYP1B1MAOAMAOBCTRC
SCHEMBL20821002 0.76 L3MBTL1 (0.49) MAOAMAOBEGLN1MEN1KMT2A
SCHEMBL13203132 0.76 CYP1A1 (0.53) CYP1A1CYP1B1PIM1MAOBCTRC
SCHEMBL19164188 0.76 ENPP1 (0.56) ENPP3ENPP1PPARGPPARAFLT3
SCHEMBL23008421 0.75 CYP1A1 (0.67) CYP1A1CYP1B1MAOAMAOBCTRC
SCHEMBL20404944 0.75 CYP1A1 (0.51) CYP1A1CYP1B1PIM1MAOAMAOB

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-11653564-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-05-16 — — 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-11653564-B2 Compound and organic light-emitting device comprising same CRY1, CYP1A1, TMEM109 CYP1A1 2/4885CYP1B1 4/4885PIM1 1666/4885

“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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