SCHEMBL20733786

SCHEMBL20733786

c1cc(-c2ncc3ccccc3n2)cc(-c2nnc3c4cccnc4c4ncccc4c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TOP1 P11387 1/20 0.36
▸ CCR1 P32246 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ MTOR P42345 1/20 0.33

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
SCHEMBL20733787 0.93 CYP1A2 (0.42) CYP1A2NPC1LMNAMAPTRECQL
SCHEMBL20733793 0.87 CYP1A2 (0.50) CYP1A2NPC1LMNAMAPTRECQL
SCHEMBL20733851 0.87 L3MBTL1 (0.41) NPC1LMNAMAPTSMN1; SMN2TOP1
SCHEMBL20733794 0.84 CYP1A2 (0.47) CYP1A2NPC1LMNAMAPTRECQL
SCHEMBL20733788 0.84 CYP1A2 (0.43) CYP1A2NPC1LMNAMAPTRECQL
SCHEMBL20733852 0.83 GP6 (0.41) NPC1TOP1CCR1CCR8L3MBTL1
SCHEMBL20733872 0.79 ALDH1A1 (0.35) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL12761842 0.78 NPC1 (0.45) NPC1LMNAMAPTRECQLRAB9A
SCHEMBL20733802 0.76 L3MBTL1 (0.39) CYP1A2NPC1LMNAMAPTRAB9A
SCHEMBL20733736 0.75 ALDH1A1 (0.37) CYP1A2NPC1MAPTRAB9ATOP1

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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-02-23 — — US disclosed
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-02-14 — — 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 (2 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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 CYP1A2 869/4885NPC1 1206/4885LMNA 4317/4885
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 CYP1A2 869/4885NPC1 1206/4885LMNA 4317/4885

“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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