SCHEMBL568812

SCHEMBL568812

CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(SC)co1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.61
CYP3A4 P08684 1/20 0.61
KCNH2 Q12809 2/20 0.47
ADRB1 P08588 1/20 0.43
SMO Q99835 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL567399 0.86 CCR1 (0.69) CCR1CYP3A4KCNH2ADRB1
SCHEMBL568763 0.84 CCR1 (0.62) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567203 0.84 CCR1 (0.62) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567816 0.82 CCR1 (0.63) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567417 0.81 CCR1 (0.78) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL568174 0.80 CCR1 (0.76) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567195 0.80 CCR1 (0.59) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567881 0.79 CCR1 (0.69) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL567656 0.79 CCR1 (0.69) CCR1CYP3A4KCNH2ADRB1SMO
SCHEMBL568004 0.79 CCR1 (0.58) CCR1CYP3A4KCNH2ADRB1SMO

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 2 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

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-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CCR1 1/4885CYP3A4 1936/4885KCNH2 3994/4885

“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.