SCHEMBL17035124

SCHEMBL17035124

Brc1c2ccccc2c(-c2cc3c(-c4ccccc4)nc4ccccc4c3c3ccccc23)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.41
ADORA2A P29274 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
PRNP P04156 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
PDE10A Q9Y233 2/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
PKM P14618 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL17035160 0.87 CYP1A2 (0.42) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17034964 0.84 MEN1 (0.42) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17034983 0.84 MEN1 (0.48) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17034989 0.81 NPC1 (0.43) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17035118 0.81 NUDT1 (0.37) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17034965 0.81 CYP11B1 (0.43) ALDH1A1HPGDMAPTNPSR1LMNA
SCHEMBL17035140 0.81 GRM2 (0.50) NUDT1ADORA2AALDH1A1MAPTPRNP
SCHEMBL17035120 0.80 NUDT1 (0.46) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17035116 0.80 LMNA (0.38) NUDT1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL17037772 0.79 ADORA2A (0.43) ADORA2AALDH1A1KDM4EHPGDLMNA

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 NUDT1 1547/4885ADORA2A 4650/4885ALDH1A1 753/4885

“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.