SCHEMBL4855166

SCHEMBL4855166

Brc1cccc2c1ncn2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.58
CYP11B2 P19099 5/20 0.58
TNF P01375 1/20 0.58
GRM2 Q14416 1/20 0.55
HTR6 P50406 1/20 0.49
LMNA P02545 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ADORA2A P29274 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR1I2 O75469 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL29907282 0.83 L3MBTL1 (0.55) CYP11B1CYP11B2LMNAADORA2AHTT
SCHEMBL4566468 0.81 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL3788877 0.81 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL229001 0.81 LMNA (0.59) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL17596372 0.78 CYP11B1 (0.55) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL12970517 0.78 GRM2 (0.51) GRM2ADORA2API4KAPI4K2BPI4K2A
SCHEMBL23293667 0.77 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL4551517 0.77 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL7025928 0.77 LMNA (0.52) CYP11B1CYP11B2TNFHTR6LMNA
SCHEMBL4551518 0.77 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6LMNA

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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 (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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CYP11B1 2685/4885CYP11B2 2636/4885TNF 4821/4885

“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.