SCHEMBL4849093

SCHEMBL4849093

COc1cc(Cl)ccc1-n1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60
CYP19A1 P11511 2/20 0.60
IDO1 P14902 3/20 0.56
CGAS Q8N884 1/20 0.54
NOTUM Q6P988 1/20 0.49
AAK1 Q2M2I8 1/20 0.48
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11702033 0.88 IDO1 (0.60) CYP11B1CYP11B2CYP19A1IDO1CGAS
SCHEMBL28004650 0.83 CYP19A1 (0.66) CYP11B1CYP11B2CYP19A1CGASAAK1
SCHEMBL9290092 0.83 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1IDO1CGAS
SCHEMBL1037506 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1IDO1CGAS
SCHEMBL27159848 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1IDO1CGAS
SCHEMBL8738604 0.79 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1CGASAAK1
SCHEMBL16441978 0.79 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1CGASAAK1
SCHEMBL16437249 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CGASAAK1
SCHEMBL16983194 0.79 IDO1 (0.61) CYP11B1CYP11B2CYP19A1IDO1CGAS
SCHEMBL6334824 0.78 IDO1 (0.65) CYP11B1CYP11B2CYP19A1IDO1CGAS

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 2636/4885CYP19A1 1766/4885

“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.