SCHEMBL5452362

SCHEMBL5452362

CC1(C)OC[C@H](CNc2c(N)cnc3cc(Br)ccc23)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
BUB1 O43683 1/20 0.33
MAPK14 Q16539 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL5454741 1.00 CA2 (0.38) CA2HCRTR1HCRTR2BUB1MAPK14
SCHEMBL5454799 1.00 CA2 (0.38) CA2HCRTR1HCRTR2BUB1MAPK14
SCHEMBL3867867 0.83 PTGES (0.36) CA2HCRTR1HCRTR2BUB1
SCHEMBL3861428 0.83 PTGES (0.36) CA2HCRTR1HCRTR2BUB1
SCHEMBL3861427 0.83 PTGES (0.36) CA2HCRTR1HCRTR2BUB1
SCHEMBL1486694 0.81 MAPK14 (0.38) BUB1MAPK14
SCHEMBL34467720 0.78 TNF (0.33)
SCHEMBL3869962 0.75 KCNH2 (0.42)
SCHEMBL3861791 0.74 IDO1 (0.41)
SCHEMBL21949825 0.74 EGFR (0.39)

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-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 CA2 3918/4885HCRTR1 3273/4885HCRTR2 2926/4885

“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.