SCHEMBL5258796

SCHEMBL5258796

CN(CCNc1cccnc1C#N)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.36
GLO1 Q04760 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
PTK2 Q05397 3/20 0.35
PLCG1 P19174 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2C19 P33261 1/20 0.35
TYK2 P29597 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KCNMA1 Q12791 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5256046 0.81 HTR5A (0.45) SLC40A1GLO1ALOX15HTTPTK2
SCHEMBL14433474 0.80 BACE1 (0.46) SLC40A1GLO1ALOX15HTTPTK2
SCHEMBL5255932 0.75 L3MBTL1 (0.43) SLC40A1GLO1ALOX15HTTEGLN1
SCHEMBL18992277 0.74 NPC1 (0.43) ALOX15PLCG1ALDH1A1HPGDNPSR1
SCHEMBL18992314 0.73 MAPT (0.42) HTTPLCG1CYP2C19GSK3AGSK3B
SCHEMBL11618373 0.73 IDO1 (0.44) ALOX15PLCG1CYP2C19GSK3AGSK3B
SCHEMBL5258286 0.72 HDAC1 (0.44) PLCG1
SCHEMBL3758988 0.70 CYP2C19 (0.50) SLC40A1CYP2C19HSP90AA1HSP90AB1KDM4E
SCHEMBL2146738 0.67 PLCG1 (0.44) GLO1ALOX15PLCG1CYP2C19GSK3A
SCHEMBL17738863 0.66 JAK2 (0.61) HTTCYP2C19TYK2ALDH1A1HPGD

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-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 EP disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 WO 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 (1 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 SLC40A1 4304/4885GLO1 4217/4885ALOX15 3125/4885

“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.