SCHEMBL10172730

SCHEMBL10172730

Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2cc(C(N)=O)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.40
CHEK1 O14757 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KLKB1 P03952 1/20 0.36

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
SCHEMBL10139912 0.93 CHEK2 (0.48) CHEK2
SCHEMBL10172729 0.88 PTGDR2 (0.36) PTGDR2KLKB1
SCHEMBL10172658 0.85 CHEK2 (0.46) CHEK2CHEK1
SCHEMBL10172723 0.85 CHEK2 (0.46) CHEK2CHEK1
SCHEMBL10172539 0.84 CHEK2 (0.45) CHEK2CHEK1
SCHEMBL20307785 0.84 CHEK2 (0.40) CHEK2
SCHEMBL10173100 0.83 CHEK2 (0.57) CHEK2CHEK1
SCHEMBL10139924 0.83 PTGDR2 (0.37) PTGDR2
SCHEMBL10139992 0.82 CHEK2 (0.50) CHEK2
SCHEMBL10172724 0.81 CHEK2 (0.44) CHEK2CHEK1

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885CHEK1 4729/4885PTGDR2 3200/4885

“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.