SCHEMBL18232948

SCHEMBL18232948

c1ccc(-c2ccnc3c2sc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ EGFR P00533 4/20 0.43
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ GRK5 P34947 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL24589835 0.93 LIMK1 (0.49) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL21032093 0.91 LIMK1 (0.42) LIMK1CDK5CDK5R1EGFRIKBKB
SCHEMBL22763458 0.90 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRIKBKB
SCHEMBL23996427 0.90 LIMK1 (0.49) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL22874230 0.90 LIMK1 (0.54) LIMK1CDK5CDK5R1EGFRROCK1
SCHEMBL24055861 0.89 LIMK1 (0.40) LIMK1CDK5CDK5R1EGFRIKBKB
SCHEMBL22763822 0.85 MEN1 (0.41) LIMK1CDK5CDK5R1ROCK1KRAS
SCHEMBL22763457 0.85 MEN1 (0.41) LIMK1CDK5CDK5R1ROCK1KRAS
SCHEMBL24589833 0.84 LIMK1 (0.60) LIMK1CDK5EGFRIKBKBCHUK
SCHEMBL21263478 0.84 LIMK1 (0.38) LIMK1CDK5CDK5R1EGFRIKBKB

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-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — US disclosed
US-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — 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-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device NR2E3, LEF1, LAGE3 LIMK1 145/4885CDK5 687/4885CDK5R1 1386/4885

“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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