Sugi Predict

Sugi Predict / Compounds / SCHEMBL967035

SCHEMBL967035

SCHEMBL967035

O=C1CCCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 5/20 0.43
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ COMT P21964 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ APLNR P35414 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MPI P34949 1/20 0.34

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
SCHEMBL967176 0.99 CALCA (0.43) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL968379 0.97 CALCA (0.41) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL966823 0.90 CALCA (0.39) CALCARAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL969933 0.88 CALCA (0.41) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL965382 0.88 CALCA (0.39) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL965304 0.87 CALCA (0.41) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL966973 0.86 CALCA (0.40) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL967562 0.86 CALCA (0.40) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL970505 0.85 CALCA (0.39) CALCAMAPTRAB9ATP53SMN1; SMN2
SCHEMBL969901 0.84 CALCA (0.37) CALCAMAPTRAB9ATP53SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
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-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — 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
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — 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 4461/4885MAPT 1418/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885MAPT 1418/4885RAB9A 2668/4885

“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.