Sugi Predict

Sugi Predict / Compounds / SCHEMBL971586

SCHEMBL971586

SCHEMBL971586

CC(=O)N1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 0.44
▸ SMO Q99835 2/20 0.43
▸ ACHE P22303 2/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ CNR2 P34972 3/20 0.39
▸ CALCA P06881 1/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ FGFR3 P22607 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ AXL P30530 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PTK2B Q14289 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ NCF1 P14598 2/20 0.38

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
SCHEMBL966583 0.89 ALDH1A1 (0.52) SMOALDH1A1KDM4E
SCHEMBL965866 0.86 KDM4E (0.39) SMODGAT1CALCAALDH1A1KDM4E
SCHEMBL968365 0.85 TP53 (0.47) SMODGAT1CALCAALDH1A1
SCHEMBL967148 0.84 ALDH1A1 (0.47) GRIA1DGAT1CALCAALDH1A1KDM4E
SCHEMBL967522 0.84 ACHE (0.42) ACHECALCAALDH1A1KDM4E
SCHEMBL966266 0.84 ALDH1A1 (0.45) ACHEDGAT1CALCAALDH1A1KDM4E
SCHEMBL966726 0.83 MAPK1 (0.42) SMOCALCAALDH1A1KDM4E
SCHEMBL968230 0.82 GRIA1 (0.38) GRIA1DGAT1CALCA
SCHEMBL966823 0.81 CALCA (0.39) CALCAALDH1A1KDM4E
SCHEMBL970505 0.81 CALCA (0.39) CNR2CALCA

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 8 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-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 GRIA1 3989/4885SMO 4609/4885ACHE 3001/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR GRIA1 3989/4885SMO 4609/4885ACHE 3001/4885

“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.