Sugi Predict

Sugi Predict / Compounds / SCHEMBL968387

SCHEMBL968387

SCHEMBL968387

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccncc2)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK14 Q16539 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ APLNR P35414 3/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL969732 0.93 RAB9A (0.44) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL967551 0.90 NPC1 (0.57) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL966296 0.90 NPC1 (0.42) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL966861 0.89 NPC1 (0.43) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL967385 0.88 NPC1 (0.42) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL967419 0.88 NPC1 (0.42) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL966977 0.88 NPC1 (0.42) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL966340 0.87 NPC1 (0.41) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL969464 0.87 NPC1 (0.40) SMN1; SMN2RAB9AHPGDL3MBTL1TP53
SCHEMBL966883 0.86 SUCNR1 (0.43) SMN1; SMN2RAB9AHPGDL3MBTL1TP53

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 SMN1; SMN2 4318/4885RAB9A 2668/4885HPGD 1538/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR SMN1; SMN2 4318/4885RAB9A 2668/4885HPGD 1538/4885

“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.