SCHEMBL21365295

SCHEMBL21365295

c1ccc2c(c1)sc1c(-c3ccc4sc5c(-c6ccc7sc8c(-c9ccc%10sc%11cccnc%11c%10c9)ccnc8c7c6)ccnc5c4c3)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 8/20 0.43
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CLK1 P49759 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ EGFR P00533 3/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ GPR3 P46089 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
SCHEMBL23996427 0.83 LIMK1 (0.49) LIMK1CDK5CDK5R1ALOX5HTR2C
SCHEMBL24589835 0.83 LIMK1 (0.49) LIMK1CDK5CDK5R1ALOX5HTR2C
SCHEMBL24589833 0.81 LIMK1 (0.60) LIMK1CDK5CLK1PIK3CAEGFR
SCHEMBL18232948 0.80 LIMK1 (0.49) LIMK1CDK5CDK5R1ALOX5HTR2C
SCHEMBL22874230 0.80 LIMK1 (0.54) LIMK1CDK5CDK5R1CLK1HTR2C
SCHEMBL18232947 0.79 LIMK1 (0.54) LIMK1CLK1PIK3CAPIM1PIM2
SCHEMBL18252205 0.78 LIMK1 (0.41) LIMK1ALOX5CLK1PIM1PIM2
SCHEMBL27174136 0.78 GPR3 (0.54) LIMK1CDK5CDK5R1CLK1KRAS
SCHEMBL149872 0.78 GPR3 (0.54) LIMK1CDK5CDK5R1CLK1KRAS
SCHEMBL18232869 0.78 ALOX5 (0.34) LIMK1ALOX5PIM1PIM2GPR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190288219-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MERCK PATENT GMBH (DE) 2019-09-19 — — 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-20190288219-A1 ORGANIC ELECTROLUMINESCENT ELEMENT VDAC1, EPCAM, LAGE3 LIMK1 321/4885CDK5 2699/4885CDK5R1 3635/4885

“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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