SCHEMBL967591

SCHEMBL967591

NC(=NO)c1ncc2cccnc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
CHRM1 P11229 1/20 0.40
COMT P21964 1/20 0.40
ADRA1A P35348 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PARP1 P09874 1/20 0.38
EGLN1 Q9GZT9 6/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP3A4 P08684 2/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL967590 1.00 FEN1 (0.47) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL1342390 0.81 FEN1 (0.56) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL31304869 0.76 FEN1 (0.60) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL968338 0.76 FEN1 (0.60) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL4067804 0.74 FEN1 (0.56) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL966559 0.74 FEN1 (0.52) FEN1ALDH1A1EGLN1KDM4EMAPT
SCHEMBL27575235 0.73 MMP2 (0.47) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL11627443 0.73 MMP2 (0.47) FEN1ALDH1A1MMP2TSHRCHRM1
SCHEMBL5778708 0.72 FEN1 (0.53) FEN1ALDH1A1HDAC8EGLN1
SCHEMBL967592 0.72 FEN1 (0.47) FEN1ALDH1A1MMP2TSHRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 FEN1 489/4885ALDH1A1 2955/4885MMP2 2484/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR FEN1 489/4885ALDH1A1 2955/4885MMP2 2484/4885

“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.