SCHEMBL967592

SCHEMBL967592

N=C(NO)c1ncc2cccnc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
MMP2 P08253 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 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
KDM4E B2RXH2 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
EGLN1 Q9GZT9 5/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 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
SCHEMBL5778708 0.81 FEN1 (0.53) FEN1ALDH1A1HDAC8EGLN1
SCHEMBL4067804 0.78 FEN1 (0.56) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL968338 0.76 FEN1 (0.60) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL31304869 0.76 FEN1 (0.60) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL1342390 0.74 FEN1 (0.56) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL967939 0.74 FEN1 (0.55) FEN1ALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL966559 0.74 FEN1 (0.52) FEN1ALDH1A1KDM4EEGLN1MAPT
SCHEMBL967591 0.72 FEN1 (0.47) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL967590 0.72 FEN1 (0.47) FEN1MMP2TSHRALDH1A1CHRM1
SCHEMBL4061458 0.71 EGLN1 (0.65) FEN1ALDH1A1L3MBTL1NPC1RAB9A

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 489/4885MMP2 2484/4885TSHR 4218/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR FEN1 489/4885MMP2 2484/4885TSHR 4218/4885

“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.