SCHEMBL4309792

SCHEMBL4309792

NC(=O)c1cc[nH]c(=O)n1.OC1CCCC=N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.33
JAK2 O60674 5/20 0.33
JAK1 P23458 3/20 0.33
GSK3B P49841 1/20 0.32
CDC7 O00311 1/20 0.31
PBK Q96KB5 1/20 0.31
SYK P43405 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
SCHEMBL2787055 0.80 PDPK1 (0.39) GSK3B
SCHEMBL4308970 0.78 RIPK1 (0.31)
Pyrrole SCHEMBL12467466 0.72 PDPK1 (0.38)
SCHEMBL1162652 0.69
SCHEMBL4102491 0.64 KDM4E (0.48)
SCHEMBL4112718 0.64 P2RX7 (0.49)
SCHEMBL7052922 0.63 KDM4E (0.32)
SCHEMBL10424836 0.62 PDPK1 (0.38)
SCHEMBL19463620 0.60 PIM1 (0.43)
SCHEMBL2351446 0.60 ALOX5AP (0.35) JAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-8852632-B2 Pharmaceutical formulation containing a release rate controlling composition MERCK SHARP & DOHME CORP. (US) 2014-10-07 US disclosed
EP-1904067-B1 PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-2586444-A1 Pharmaceutical formulation of carboxamide HIV integrase inhibitors containing a release rate control composition Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-20090136570-A1 Taste-Masked Tablets and Granules UNIVERSITAT ZURICH (CH) 2009-05-28 US disclosed
US-20090136570-A1 Taste-Masked Tablets and Granules UNIVERSITAT ZURICH (CH) 2009-05-28 US disclosed
WO-2007087188-A8 TASTE-MASKED TABLETS AND GRANULES MERCK & CO INC (US) 2008-08-14 WO disclosed
US-20070292504-A1 Pharmaceutical formulation containing a release rate controlling composition MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
WO-2007087188-A3 TASTE-MASKED TABLETS AND GRANULES MERCK & CO INC (US) 2007-12-13 WO disclosed
US-20070259894-A1 Use of Atazanavir for Improving the Pharmacokinetics of Drugs Metabolized by Ugt1a1 MERCK SHARP & DOHME CORP. 2007-11-08 US disclosed
EP-1824957-A2 USE OF ATAZANAVIR FOR IMPROVING THE PHARMACOKINETICS OF DRUGS METABOLIZED BY UGT1A1 Merck & Co., Inc. (US) 2007-08-29 EP disclosed
WO-2007087188-A2 TASTE-MASKED TABLETS AND GRANULES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087188-A2 TASTE-MASKED TABLETS AND GRANULES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2006060731-A2 USE OF ATAZANAVIR FOR IMPROVING THE PHARMACOKINETICS OF DRUGS METABOLIZED BY UGT1A1 MERCK & CO., INC. (US) 2006-06-08 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 (3 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-20070259894-A1 Use of Atazanavir for Improving the Pharmacokinetics of Drugs Metabolized by Ugt1a1 UGT1A1, UGT1A3, UGT1A9 JAK3 1443/4885JAK2 2603/4885JAK1 709/4885
US-20090136570-A1 Taste-Masked Tablets and Granules TAS2R30, TAS2R40, TAS2R42 JAK3 1323/4885JAK2 1684/4885JAK1 1142/4885
US-20070292504-A1 Pharmaceutical formulation containing a release rate controlling composition REV1, POLR2H, POLR2E JAK3 1157/4885JAK2 2153/4885JAK1 646/4885

“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.