SCHEMBL5461925

SCHEMBL5461925

CCc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 13/20 0.79
▸ BRSK1 Q8TDC3 1/20 0.79
▸ AURKB Q96GD4 1/20 0.79
▸ CLK2 P49760 1/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ATM Q13315 1/20 0.53

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
SCHEMBL14373345 0.92 CXCR3 (0.80) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373349 0.92 CXCR3 (0.71) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373367 0.89 CXCR3 (0.69) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373591 0.88 BRSK1 (0.83) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373586 0.88 BRSK1 (1.00) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373298 0.88 CXCR3 (1.00) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373299 0.88 CXCR3 (0.75) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373292 0.88 CXCR3 (0.66) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373596 0.87 BRSK1 (0.81) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373310 0.87 CXCR3 (0.65) CXCR3BRSK1AURKBCLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
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 4743/4885BRSK1 1014/4885AURKB 216/4885

“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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