SCHEMBL567939

SCHEMBL567939

CS(=O)(=O)CNc1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.72
KCNH2 Q12809 1/20 0.68
CYP3A4 P08684 1/20 0.52

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
SCHEMBL567537 0.90 CCR1 (0.75) CCR1KCNH2CYP3A4
SCHEMBL2183294 0.89 CCR1 (0.69) CCR1KCNH2
SCHEMBL567991 0.86 CCR1 (0.64) CCR1KCNH2CYP3A4
SCHEMBL568106 0.84 CCR1 (0.82) CCR1KCNH2
SCHEMBL2184358 0.84 CCR1 (0.72) CCR1KCNH2CYP3A4
SCHEMBL568392 0.84 CCR1 (1.00) CCR1KCNH2CYP3A4
SCHEMBL568318 0.83 CCR1 (0.70) CCR1KCNH2CYP3A4
SCHEMBL568597 0.83 CCR1 (1.00) CCR1KCNH2
SCHEMBL567845 0.82 CCR1 (0.78) CCR1KCNH2CYP3A4
SCHEMBL567942 0.81 CCR1 (0.81) CCR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCR1 1/4885KCNH2 3909/4885CYP3A4 2075/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCR1 1/4885KCNH2 3994/4885CYP3A4 1936/4885

“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.