SCHEMBL12726331

SCHEMBL12726331

Cc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.53
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1639632 0.88 CCR1 (0.67) CCR1CYP2C19KCNH2
SCHEMBL12726335 0.86 CCR1 (0.51) CCR1MAPTMEN1HTTKMT2A
SCHEMBL12726355 0.85 CCR1 (0.55) CCR1MAPTMEN1HTTKMT2A
SCHEMBL12726187 0.84 CCR1 (0.55) CCR1MAPTTP53CYP2C19KCNH2
SCHEMBL10063606 0.83 CCR1 (0.57) CCR1TP53CYP2C19KCNH2
SCHEMBL13229297 0.83 CCR1 (0.55) CCR1MAPTCYP2C19KCNH2
SCHEMBL14620906 0.82 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL12726360 0.82 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL12726239 0.81 CCR1 (0.59) CCR1TP53CYP2C19KCNH2
SCHEMBL12726229 0.81 CCR1 (0.59) CCR1CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 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 (2 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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885MEN1 4604/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885MEN1 4604/4885

“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.