SCHEMBL965986

SCHEMBL965986

Oc1c(-c2nnc(Cc3cccs3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 6/20 0.39
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL965987 0.91 CALCA (0.49) CALCAKDM4ESMN1; SMN2
SCHEMBL967390 0.87 CALCA (0.42) CALCAKDM4ESMN1; SMN2
SCHEMBL965779 0.86 CALCA (0.48) CALCAKDM4ESMN1; SMN2
SCHEMBL967789 0.86 CALCA (0.42) CALCAKDM4ESMN1; SMN2
SCHEMBL967706 0.84 CALCA (0.41) CALCAKDM4ESMN1; SMN2
SCHEMBL968042 0.84 CALCA (0.50) CALCAKDM4ESMN1; SMN2
SCHEMBL966987 0.84 CALCA (0.50) CALCAKDM4ESMN1; SMN2
SCHEMBL965627 0.84 CALCA (0.51) CALCAKDM4ESMN1; SMN2
SCHEMBL967383 0.83 CALCA (0.42) CALCAKDM4ESMN1; SMN2
SCHEMBL966272 0.82 CALCA (0.47) CALCAKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 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 (2 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885SMN1; SMN2 4318/4885

“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.