Sugi Predict

Sugi Predict / Compounds / SCHEMBL967790

SCHEMBL967790

SCHEMBL967790

O=S1(=O)CCCCN1c1nc(-c2nnc(Cc3ccccn3)[nH]2)c(O)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.53
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC40A1 Q9NP59 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NPC1 O15118 2/20 0.31

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
SCHEMBL965773 0.91 CALCA (0.60) CALCAKMT2AHTR6KDM4EHTT
SCHEMBL967789 0.91 CALCA (0.42) CALCACYP1A2CYP2C19HTR6F2
SCHEMBL967391 0.88 CALCA (0.53) CALCACYP1A2CYP2C19KDM4EHTT
SCHEMBL966989 0.87 CALCA (0.62) CALCAFGFR1KDM4EL3MBTL1COMT
SCHEMBL967705 0.87 CALCA (0.51) CALCAKDM4EHTTL3MBTL1MAPT
SCHEMBL968040 0.87 CALCA (0.62) CALCAKDM4EL3MBTL1CDK1CDK4
SCHEMBL966281 0.86 CALCA (0.59) CALCAKMT2AHTR6KDM4EHTT
SCHEMBL965626 0.86 CALCA (0.62) CALCACYP1A2CYP2C19KDM4EHTT
SCHEMBL968717 0.85 CALCA (0.51) CALCACYP1A2CYP2C19KMT2AKDM4E
SCHEMBL968246 0.85 CALCA (0.63) CALCAKMT2AKDM4EL3MBTL1POLB

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 CALCA 4461/4885CYP1A2 1507/4885CYP2C19 1819/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885CYP1A2 1507/4885CYP2C19 1819/4885

“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.