SCHEMBL16902380

SCHEMBL16902380

c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3c2sc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ TNKS O95271 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ LIMK1 P53667 3/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MMP14 P50281 1/20 0.35

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
SCHEMBL16902307 1.00 ADORA2A (0.36) ADORA2AADORA1TNKSTNKS2HSD17B1
SCHEMBL18370239 0.96 LIMK1 (0.38) ADORA2AADORA1TNKSTNKS2HSD17B1
SCHEMBL16902310 0.96 LIMK1 (0.38) ADORA2AADORA1TNKSTNKS2HSD17B1
SCHEMBL16902377 0.96 ADORA2A (0.39) ADORA2AADORA1TNKSTNKS2LIMK1
SCHEMBL18018401 0.95 LIMK1 (0.37) ADORA2AADORA1TNKSTNKS2HSD17B1
SCHEMBL19106246 0.95 ADORA2A (0.36) ADORA2AADORA1TNKSTNKS2HSD17B1
SCHEMBL19106197 0.94 MEN1 (0.41) ADORA2AADORA1TNKSTNKS2LIMK1
SCHEMBL19106194 0.94 MEN1 (0.41) ADORA2AADORA1TNKSTNKS2LIMK1
SCHEMBL19106348 0.93 CYP1A1 (0.37) TNKSTNKS2HSD17B1HSD17B2LIMK1
SCHEMBL18017957 0.92 LIMK1 (0.41) TNKSTNKS2LIMK1MEN1KMT2A

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-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 — — US disclosed
US-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 — — US disclosed
WO-2015105316-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — WO 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-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ADORA2A 4711/4885ADORA1 4810/4885TNKS 2858/4885

“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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