SCHEMBL3733037

SCHEMBL3733037

COc1ccc2nccc(-n3cc4c(n3)CC[C]C4)c2n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.34
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 5/20 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
SCHEMBL3059425 0.82 NCF1 (0.36) CYP8B1ACVR1
SCHEMBL3066931 0.79 ACVR1 (0.35) CYP8B1ACVR1KCNH2
SCHEMBL3077878 0.76 MAPT (0.42) CYP8B1
SCHEMBL3074169 0.74 CYP8B1 (0.36) CYP8B1KCNH2
SCHEMBL3062199 0.72 MAP4K4 (0.37) CYP8B1KCNH2
SCHEMBL3073732 0.71 KCNH2 (0.40) KCNH2
SCHEMBL3071973 0.71 KCNH2 (0.35) KCNH2
SCHEMBL3072360 0.71 KCNH2 (0.45) KCNH2
SCHEMBL3063970 0.70 KCNH2 (0.41) KCNH2
SCHEMBL3063681 0.70 GRIN2B (0.44) KCNH2

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-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO 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-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 CYP8B1 613/4885ACVR1 4773/4885KCNH2 2527/4885

“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.