SCHEMBL25462167

SCHEMBL25462167

c1ccc2cc(-c3nnnc4c3sc3ccccc34)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ KRAS P01116 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ MIF P14174 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ PDPK1 O15530 1/20 0.32

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
SCHEMBL25461811 0.83 LIMK1 (0.51) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25461800 0.80 MAPT (0.38) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25462168 0.78 RAB9A (0.38) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25462165 0.76 KDM4E (0.40) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25461697 0.76 MAPT (0.38) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25461873 0.74 NPC1 (0.39) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL25461818 0.74 NPC1 (0.39) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL24795272 0.72 NPC1 (0.50) NPC1RAB9AMAPTGRM4CYP1A2
SCHEMBL25461729 0.72 NPC1 (0.40) LIMK1CDK5CDK5R1NPC1KRAS
SCHEMBL19106203 0.72 ADORA2A (0.35) LIMK1CDK5CDK5R1NPC1KRAS

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 — — 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 LIMK1 351/4885CDK5 3542/4885CDK5R1 3671/4885

“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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