SCHEMBL4204657

SCHEMBL4204657

CN1CC(c2ccncc2)n2nc(C(=O)NCc3ccc(F)c(Cl)c3)c(O)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
MMP13 P45452 2/20 0.36
DGAT1 O75907 1/20 0.36
MAPK1 P28482 8/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
ABCB1 P08183 1/20 0.36
IDO1 P14902 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL4055786 0.88 SMN1; SMN2 (0.46)
SCHEMBL4052973 0.81 SMN1; SMN2 (0.50) PTGER4
SCHEMBL4197761 0.78 SMN1; SMN2 (0.46)
SCHEMBL4049733 0.76 SMN1; SMN2 (0.45) PTGER4CNR2
SCHEMBL4049474 0.74 SMN1; SMN2 (0.43) CNR1ABCB1
SCHEMBL4199666 0.73 SLC22A2 (0.38) P2RX7
SCHEMBL4206599 0.73 SLC22A2 (0.38) P2RX7
SCHEMBL4048441 0.73 SLC22A2 (0.38) P2RX7
SCHEMBL4195428 0.73 SLC22A2 (0.38) P2RX7
SCHEMBL13947742 0.72 SMN1; SMN2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP claimed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US claimed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US claimed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP claimed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 WO claimed
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP PTGER4 3284/4885MMP13 4500/4885DGAT1 4276/4885

“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.