SCHEMBL16902209

SCHEMBL16902209

c1ccc(-c2nc(-c3cccc4ccccc34)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TNKS O95271 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ LIMK1 P53667 2/20 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
SCHEMBL18018070 0.92 TNKS (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL16901974 0.91 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL18018078 0.90 TNKS (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL18018077 0.90 TNKS (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL16902210 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL18018089 0.89 TNKS (0.40) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL16902347 0.89 TNKS (0.38) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL24036898 0.88 EGFR (0.41) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL19106218 0.88 MAPT (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL18018090 0.88 TNKS (0.40) ALDH1A1MAPTKDM4EMAPK1HPGD

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 ALDH1A1 1905/4885MAPT 1162/4885KDM4E 3527/4885

“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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