SCHEMBL14373295

SCHEMBL14373295

C=Cc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.68
▸ KMT2A Q03164 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ BRSK1 Q8TDC3 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ HRH1 P35367 1/20 0.46
▸ CLK2 P49760 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL14373341 0.88 CXCR3 (0.67) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373306 0.85 CXCR3 (0.64) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373299 0.85 CXCR3 (0.75) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373362 0.84 CXCR3 (0.62) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373379 0.84 CXCR3 (0.78) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL5461925 0.83 CXCR3 (0.79) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373333 0.82 CXCR3 (0.68) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373349 0.82 CXCR3 (0.71) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373328 0.81 CXCR3 (0.69) CXCR3KMT2AATMBRSK1AURKB
SCHEMBL14373365 0.81 CXCR3 (1.00) CXCR3KMT2AATMBRSK1AURKB

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
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885KMT2A 1857/4885ATM 2090/4885

“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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