SCHEMBL17035158

SCHEMBL17035158

Brc1cccc2c1ccc1c(-c3ccccc3)nc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
NUDT1 P36639 3/20 0.45
BACE1 P56817 1/20 0.45
ADORA2A P29274 1/20 0.45
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
TYMS P04818 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 2/20 0.40
ATM Q13315 1/20 0.40
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
PRNP P04156 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL18347010 0.86 CYP1A2 (0.41) CYP1A2BACE1ADORA2AMEN1KMT2A
SCHEMBL17035120 0.85 NUDT1 (0.46) CYP1A2NUDT1ADORA2AMAPTMEN1
SCHEMBL11962189 0.82 NUDT1 (0.57) NUDT1ADORA2AMAPTMEN1KMT2A
SCHEMBL17035160 0.81 CYP1A2 (0.42) CYP1A2NUDT1ADORA2AMAPTMEN1
SCHEMBL17034863 0.80 NUDT1 (0.50) NUDT1ADORA2AMAPTMEN1KMT2A
SCHEMBL23628370 0.79 CYP1A2 (0.61) CYP1A2NUDT1BACE1ADORA2AMAPT
SCHEMBL17035094 0.77 MEN1 (0.54) CYP1A2NUDT1ADORA2AMAPTMEN1
SCHEMBL18200601 0.77 NUDT1 (0.47) NUDT1ADORA2AMAPTMEN1KMT2A
SCHEMBL18200600 0.77 NUDT1 (0.47) NUDT1ADORA2AMAPTMEN1KMT2A
SCHEMBL21281991 0.76 KMT2A (0.53) CYP1A2NUDT1BACE1ADORA2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP1A2 1306/4885NUDT1 1547/4885BACE1 1046/4885

“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.