SCHEMBL940981

SCHEMBL940981

NC(=O)c1nc(=O)[nH]cc1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
KMT2A Q03164 1/20 0.33
PDPK1 O15530 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
GDA Q9Y2T3 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL4322131 0.78 NOTUM (0.34) ADORA2AADORA1
SCHEMBL65897 0.72
SCHEMBL4512381 0.72
SCHEMBL7209768 0.68 IKBKB (0.41) GAAKMT2APDPK1GDAADORA2A
SCHEMBL27720229 0.65 CYP1A2 (0.37) GAA
SCHEMBL27533747 0.64
SCHEMBL24025404 0.63 LMNA (0.35) ERCC1FEN1ERCC4KMT2APDPK1
Favipiravir SCHEMBL6378032 0.63 ERCC1 (0.32) ERCC1FEN1ERCC4KMT2APDPK1
SCHEMBL27865344 0.63 ERCC1 (0.34) ERCC1FEN1ERCC4PDPK1
SCHEMBL3378144 0.63 LCK (0.36) KMT2APDPK1THRBRAB9AADORA2A

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230073216-A1 Pharmaceutical Compositions of Raltegravir LUPIN LIMITED (IN) 2023-03-09 US disclosed
US-20210290548-A1 FORMULATIONS OF RALTEGRAVIR MERCK SHARP & DOHME CORP. (US) 2021-09-23 US disclosed
WO-2021148992-A1 PHARMACEUTICAL COMPOSITIONS OF RALTEGRAVIR LUPIN LIMITED (IN) 2021-07-29 WO disclosed
EP-3801532-A1 FORMULATIONS OF RALTEGRAVIR Merck Sharp & Dohme Corp. (US) 2021-04-14 EP disclosed
EP-2586444-B1 Pharmaceutical formulation of carboxamide HIV integrase inhibitors containing a release rate control composition MERCK SHARP & DOHME (US) 2019-09-25 EP disclosed
US-20190167591-A1 Taste-Masked Formulations of Raltegravir MERCK SHARP & DOHME CORP. (US) 2019-06-06 US disclosed
US-20170312222-A1 Taste-Masked Formulations of Raltegravir MERCK SHARP & DOHME CORP. (US) 2017-11-02 US disclosed
EP-1904067-B2 PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
EP-2231621-B1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8852632-B2 Pharmaceutical formulation containing a release rate controlling composition MERCK SHARP & DOHME CORP. (US) 2014-10-07 US disclosed
WO-2006060711-A2 PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION MERCK & CO., INC. (US) 2006-06-08 WO disclosed
WO-2006060225-A2 PROCESS FOR ASYMMETRIC SYNTHESIS OF HEXAHYDROPYRIMIDO[1,2-A] AZEPINE-2-CARBOXAMIDES AND RELATED COMPOUNDS MERCK & CO., INC. (US) 2006-06-08 WO disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
WO-2005070901-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2005-08-04 WO disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 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 (7 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-20210290548-A1 FORMULATIONS OF RALTEGRAVIR KLK5, SUGT1, SLC6A5 GAA 3356/4885ERCC1 2634/4885FEN1 3040/4885
US-20230073216-A1 Pharmaceutical Compositions of Raltegravir CYP3A5, SAMHD1, CYP3A7 GAA 125/4885ERCC1 1887/4885FEN1 542/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP GAA 767/4885ERCC1 1162/4885FEN1 86/4885
US-20170312222-A1 Taste-Masked Formulations of Raltegravir TAS2R41, TAS2R39, TAS2R40 GAA 43/4885ERCC1 2548/4885FEN1 4117/4885
US-20190167591-A1 Taste-Masked Formulations of Raltegravir TAS2R41, TAS2R39, TAS2R40 GAA 43/4885ERCC1 2548/4885FEN1 4117/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE GAA 900/4885ERCC1 879/4885FEN1 60/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 GAA 2196/4885ERCC1 1448/4885FEN1 214/4885

“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.