SCHEMBL14373313

SCHEMBL14373313

Cn1c(=N)n(CC(=O)c2ccccc2)c2cccc(CCc3ccccc3)c21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.66
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ BRSK1 Q8TDC3 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HRH1 P35367 1/20 0.47

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
SCHEMBL14373311 0.92 CXCR3 (0.79) CXCR3RAB9ANPC1KMT2ACLK2
SCHEMBL14470696 0.92 CXCR3 (0.63) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373310 0.92 CXCR3 (0.65) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373344 0.89 CXCR3 (0.81) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373348 0.87 CXCR3 (0.67) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373366 0.86 CXCR3 (0.70) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373314 0.83 CXCR3 (0.60) CXCR3RAB9ANPC1KMT2ACLK2
SCHEMBL14373284 0.82 CXCR3 (0.80) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14470561 0.81 RAB9A (0.67) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373358 0.81 RAB9A (0.67) CXCR3RAB9ANPC1KMT2AMAPT

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 4743/4885RAB9A 1111/4885NPC1 234/4885

“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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