SCHEMBL13658207

SCHEMBL13658207

COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c4cccnc43)C(C)C2)c(F)cc1I

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.42
CCR1 P32246 3/20 0.41
SMO Q99835 1/20 0.41
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1638727 0.91 CCR1 (0.47) CXCR3CCR1SMO
SCHEMBL1638728 0.91 CCR1 (0.47) CXCR3CCR1SMO
SCHEMBL12765598 0.90 CXCR3 (0.43) CXCR3CCR1KCNH2
SCHEMBL13658231 0.88 CXCR3 (0.42) CXCR3CCR1KCNH2
SCHEMBL13456282 0.88 CCR1 (0.56) CXCR3CCR1KCNH2
SCHEMBL13658199 0.88 CXCR3 (0.41) CXCR3CCR1SMOKCNH2
SCHEMBL12765594 0.86 CXCR3 (0.43) CXCR3CCR1
SCHEMBL12726222 0.85 CXCR3 (0.43) CXCR3CCR1SMO
SCHEMBL13658133 0.83 CXCR3 (0.51) CXCR3CCR1KCNH2
SCHEMBL1639324 0.82 CCR1 (0.48) CXCR3CCR1KCNH2

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-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2009-10-08 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-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CXCR3 15/4885CCR1 1/4885SMO 2938/4885

“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.