SCHEMBL23185176

SCHEMBL23185176

c1ccc2cc(-c3ncnc4c3sc3ccccc34)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 9/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ HTR2C P28335 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ EGFR P00533 4/20 0.44
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTR2B P41595 1/20 0.39
▸ HTR5A P47898 1/20 0.39

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
SCHEMBL16922297 0.89 LIMK1 (0.47) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL16922544 0.87 LIMK1 (0.46) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL20909406 0.86 LIMK1 (0.40) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL25473259 0.83 LIMK1 (0.47) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL25473296 0.83 LIMK1 (0.47) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL24056358 0.83 LIMK1 (0.47) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL25473221 0.83 LIMK1 (0.47) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL25473431 0.82 LIMK1 (0.49) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL16922360 0.82 LIMK1 (0.51) LIMK1CDK5CDK5R1HTR2CHRH4
SCHEMBL16901973 0.82 LIMK1 (0.61) LIMK1CDK5CDK5R1HTR2CHRH4

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-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 — — 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-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG LIMK1 464/4885CDK5 3499/4885CDK5R1 3965/4885

“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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