SCHEMBL965873

SCHEMBL965873

Oc1c(-c2nnc(Cc3ccc(F)cc3)[nH]2)nc(N2CCN(c3cnccn3)CC2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
SMO Q99835 3/20 0.36
SORD Q00796 1/20 0.36
CALCA P06881 1/20 0.36
LMNA P02545 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIT P10721 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
SCHEMBL966016 0.91 SMO (0.43) KDM4EDRD4DRD2DRD3GAA
SCHEMBL966895 0.87 CALCA (0.40) KDM4EGAAMAPTCALCALMNA
SCHEMBL966358 0.87 CALCA (0.42) KDM4EMAPTCALCALMNAHSP90AA1
SCHEMBL966862 0.86 HTR6 (0.39) KDM4EMAPTCALCALMNAHSP90AA1
SCHEMBL966710 0.85 TP53 (0.39) KDM4EMAPK1MAPTCALCALMNA
SCHEMBL967413 0.85 CALCA (0.38) KDM4EGAAMAPK1MAPTSMO
SCHEMBL967875 0.85 CALCA (0.37) KDM4EMAPTSMOCALCALMNA
SCHEMBL966111 0.85 CALCA (0.41) KDM4EMAPTSMOCALCALMNA
SCHEMBL966030 0.84 GRIA1 (0.41) KDM4EGAAMAPTSMOCALCA
SCHEMBL966110 0.84 CALCA (0.44) KDM4EMAPTCALCALMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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 (2 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885DRD4 1554/4885DRD2 2429/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885DRD4 1554/4885DRD2 2429/4885

“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.