SCHEMBL4765288

SCHEMBL4765288

NC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 11/20 0.76
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
RPS6KB1 P23443 2/20 0.36

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
SCHEMBL4763498 0.94 CALCA (0.76) CALCAADORA2AADORA1
SCHEMBL7262560 0.93 CALCA (0.77) CALCAADORA2AADORA1
SCHEMBL4763113 0.93 CALCA (0.74) CALCAADORA2AADORA1
SCHEMBL7258270 0.93 CALCA (0.74) CALCAADORA2AADORA1
Water SCHEMBL6250514 0.93 CALCA (0.74) CALCAADORA2AADORA1
SCHEMBL4765294 0.92 CALCA (0.64) CALCAADORA2AADORA1RPS6KB1
SCHEMBL4762285 0.92 CALCA (0.73) CALCAADORA2AADORA1
SCHEMBL4763114 0.92 CALCA (0.73) CALCAADORA2AADORA1
SCHEMBL4765622 0.92 CALCA (0.63) CALCAADORA2AADORA1RPS6KB1
SCHEMBL7263607 0.92 CALCA (0.79) CALCAADORA2AADORA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496836-B1 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP claimed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US claimed
EP-1496836-A4 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2006-03-22 EP claimed
US-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 US claimed
EP-1496836-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077850-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1496836-B1 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 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 (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-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors CDK8, PNP, HINT1 CALCA 3871/4885ADORA2A 3566/4885ADORA1 1503/4885

“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.