SCHEMBL17037772

SCHEMBL17037772

N#Cc1ccc(-c2c3ccccc3c(-c3cc4c(-c5ccccc5)nc5ccccc5c4c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
THRB P10828 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.42
ABCB1 P08183 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRA P11474 1/20 0.38
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL18914564 0.91 ESR1 (0.45) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL17037315 0.90 ADORA2A (0.41) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL17037279 0.89 ADORA2A (0.43) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL19020501 0.86 ADORA2A (0.37) ADORA2AALDH1A1ABCG2ABCB1MEN1
SCHEMBL17037303 0.85 ABCG2 (0.48) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL18914557 0.85 PDPK1 (0.38) ADORA2AALDH1A1ABCG2ABCB1MEN1
SCHEMBL17037341 0.85 GBA1 (0.39) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL17034966 0.84 ADORA2A (0.38) ADORA2AALDH1A1LMNATHRBABCG2
SCHEMBL17037773 0.83 ALDH1A1 (0.48) ADORA2AALDH1A1LMNATHRBKDM4E
SCHEMBL17037267 0.82 ADORA2A (0.36) ADORA2AALDH1A1LMNATHRBABCG2

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-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

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 ADORA2A 4650/4885ALDH1A1 753/4885LMNA 1598/4885

“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.