Sugi Predict

Sugi Predict / Compounds / SCHEMBL968735

SCHEMBL968735

SCHEMBL968735

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cnccn2)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MET P08581 1/20 0.34
▸ APLNR P35414 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL966724 0.89 RAB9A (0.42) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL966296 0.88 NPC1 (0.42) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL968387 0.85 SMN1; SMN2 (0.44) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL969732 0.84 RAB9A (0.44) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL13118353 0.83 NPC1 (0.49) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL969464 0.82 NPC1 (0.40) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL15197866 0.82 RAB9A (0.44) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL967385 0.82 NPC1 (0.42) RAB9AL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL3964685 0.82 TERT (0.44) TERTRAB9AL3MBTL1TP53HPGD
SCHEMBL967551 0.82 NPC1 (0.57) RAB9AL3MBTL1TP53HPGDSMN1; 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 10 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-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 TERT 99/4885RAB9A 2668/4885L3MBTL1 2808/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR TERT 99/4885RAB9A 2668/4885L3MBTL1 2808/4885

“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.