SCHEMBL21870744

SCHEMBL21870744

Clc1nccc(-c2c[nH]c3c(Cl)nccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 9/20 0.51
▸ GSK3B P49841 7/20 0.45
▸ CDK5 Q00535 5/20 0.45
▸ CDK5R1 Q15078 5/20 0.45
▸ CLK1 P49759 3/20 0.45
▸ DYRK1B Q9Y463 2/20 0.42
▸ NFATC1 O95644 3/20 0.42
▸ MAP3K14 Q99558 3/20 0.42
▸ AR P10275 5/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNT1 O60563 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ PDPK1 O15530 1/20 0.38

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
SCHEMBL4491392 0.82 DYRK1A (0.75) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL19100702 0.81 DYRK1A (0.49) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL19100641 0.81 DYRK1A (0.46) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL30957630 0.80 AR (0.62) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL4487796 0.80 DYRK1A (0.56) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL30957480 0.80 DYRK1A (0.56) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL18662633 0.80 DYRK1A (0.64) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL17542614 0.80 AR (0.62) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL19100699 0.80 CDK5 (0.71) DYRK1AGSK3BCDK5CDK5R1CLK1
SCHEMBL17339095 0.77 DYRK1A (0.51) DYRK1AGSK3BCDK5CDK5R1CLK1

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-20210371415-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-12-02 — — US disclosed
WO-2020057669-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY 上海轶诺药业有限公司 2020-03-26 — — 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-20210371415-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY JAK1, JAK2, JAK3 DYRK1A 886/4885GSK3B 702/4885CDK5 171/4885

“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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