SCHEMBL14400689

SCHEMBL14400689

CN(Cc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 18/20 0.71
▸ CLK2 P49760 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL14373423 0.85 CXCR3 (0.79) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373350 0.85 CXCR3 (0.85) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373298 0.83 CXCR3 (1.00) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373390 0.83 CXCR3 (0.89) CXCR3
SCHEMBL14373289 0.83 CXCR3 (0.64) CXCR3
SCHEMBL14373311 0.82 CXCR3 (0.79) CXCR3CLK2DYRK1ACLK4NPC1
SCHEMBL5449948 0.82 CXCR3 (1.00) CXCR3NPC1RAB9A
SCHEMBL14373437 0.81 CXCR3 (0.83) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373348 0.81 CXCR3 (0.67) CXCR3CLK2DYRK1ACLK4NPC1
SCHEMBL14373346 0.81 CXCR3 (1.00) CXCR3CLK2DYRK1ACLK4

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885CLK2 1827/4885DYRK1A 4540/4885

“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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