SCHEMBL23753798

SCHEMBL23753798

Cn1cc(-c2ccccc2C#N)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ BRD4 O60885 1/20 0.49
▸ ESR2 Q92731 1/20 0.46
▸ SMARCA2 P51531 1/20 0.46
▸ SMARCA4 P51532 1/20 0.46
▸ GABRG2 P18507 3/20 0.44
▸ GABRB3 P28472 3/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ GABRA1 P14867 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ LRRK2 Q5S007 3/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRA2A P08913 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
SCHEMBL30332210 0.80 PDK2 (0.48) BRD4ESR2GABRG2GABRB3GABRA5
SCHEMBL17794955 0.80 LRRK2 (0.48) CNR1CNR2BRD4CCNCCDK8
SCHEMBL30332345 0.78 PDK2 (0.49) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21071834 0.78 AXL (0.47) CNR1CNR2BRD4SMARCA2SMARCA4
SCHEMBL23761239 0.78 PIK3CD (0.47) CNR1CNR2GABRG2GABRB3GABRA5
SCHEMBL17809687 0.76 BRD4 (0.42) CNR1CNR2BRD4SMARCA2SMARCA4
SCHEMBL1880689 0.76 GRIA1 (0.63) CNR1CNR2BRD4GABRG2GABRB3
SCHEMBL17806614 0.76 LRRK2 (0.45) CNR1CNR2BRD4CCNCCDK8
SCHEMBL23638914 0.75 BRD4 (0.54) BRD4SMARCA2SMARCA4EPHX2PDK2
SCHEMBL10094625 0.75 BRD4 (0.54) BRD4SMARCA2SMARCA4EPHX2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR TAIZHOU EOC PHARMA CO., LTD (CN) 2024-10-24 — — US disclosed
EP-4380930-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-06-12 — — EP disclosed
WO-2023016477-A9 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-04-25 — — WO disclosed
CN-117916235-A Cyclin dependent kinase inhibitors 泰州亿腾景昂药业股份有限公司 2024-04-19 — — CN disclosed
WO-2023016477-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-02-16 — — WO disclosed
WO-2023016477-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-02-16 — — WO disclosed
WO-2021160109-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2021-08-19 — — 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-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR CDK2, CCNK, CDK1 CNR1 3658/4885CNR2 4173/4885BRD4 401/4885

“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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