SCHEMBL22065137

SCHEMBL22065137

N#Cc1ccc(-c2c(-c3cccc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)ccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ ABCB1 P08183 5/20 0.39
▸ ABCC1 P33527 2/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL22064795 0.92 ABCG2 (0.43) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL21131503 0.90 ABCG2 (0.44) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL22064790 0.90 ABCG2 (0.48) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL21658277 0.89 ABCG2 (0.45) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL19942060 0.89 ABCG2 (0.47) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL21658388 0.89 ABCG2 (0.47) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL19942057 0.89 ABCG2 (0.47) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL22064784 0.88 ABCG2 (0.44) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL22064717 0.88 ABCG2 (0.46) ABCG2SLC22A12ABCB1ABCC1CYP1A2
SCHEMBL19942058 0.88 ABCG2 (0.46) ABCG2SLC22A12ABCB1ABCC1CYP1A2

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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 — — 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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR ABCG2 2815/4885SLC22A12 4126/4885ABCB1 2655/4885

“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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