SCHEMBL16902347

SCHEMBL16902347

c1ccc(-c2nc(-c3ccccc3-c3ccccc3)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.38
▸ TNKS2 Q9H2K2 3/20 0.38
▸ LIMK1 P53667 3/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ F9 P00740 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18370226 0.97 TNKS (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018070 0.97 TNKS (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018077 0.96 TNKS (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018078 0.96 TNKS (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018089 0.94 TNKS (0.40) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL16902351 0.94 TNKS (0.38) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL19797723 0.94 LIMK1 (0.36) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018090 0.93 TNKS (0.40) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018088 0.93 TNKS (0.40) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18018068 0.92 MEN1 (0.38) TNKSTNKS2LIMK1CDK5CDK5R1

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 TNKS 2858/4885TNKS2 2562/4885LIMK1 1263/4885

“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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