SCHEMBL5458460

SCHEMBL5458460

CCCn1c(=N)n(CC(=O)c2ccccc2)c2cccc(Cl)c21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 15/20 0.67
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ ATM Q13315 1/20 0.61
▸ CLK2 P49760 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55

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
SCHEMBL14373628 0.93 CXCR3 (0.69) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL5456451 0.92 CXCR3 (0.77) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14470441 0.91 CXCR3 (0.65) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373615 0.90 CLK2 (0.67) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373627 0.90 BRSK1 (0.64) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373639 0.89 CXCR3 (0.64) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373643 0.87 CXCR3 (0.62) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373323 0.86 CXCR3 (0.84) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL14373632 0.85 CXCR3 (0.66) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL5455024 0.85 CXCR3 (0.73) CXCR3MEN1KMT2ACLK2DYRK1A

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 4743/4885MEN1 614/4885KMT2A 1857/4885

“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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