SCHEMBL967522

SCHEMBL967522

COCCN1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
ELANE P08246 1/20 0.40
TP53 P04637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL971586 0.84 GRIA1 (0.44) ACHEKDM4EALDH1A1CALCA
SCHEMBL965866 0.84 KDM4E (0.39) TP53KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL12919906 0.83 ACHE (0.42) ACHEELANETP53KDM4EMAPT
SCHEMBL966266 0.82 ALDH1A1 (0.45) ACHEKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL966726 0.81 MAPK1 (0.42) KDM4EMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL967148 0.81 ALDH1A1 (0.47) TP53KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL966583 0.80 ALDH1A1 (0.52) TP53KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL968230 0.79 GRIA1 (0.38) ELANERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL966823 0.78 CALCA (0.39) KDM4ERAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL967547 0.77 AURKA (0.39) ELANEKDM4EMAPTRAB9ASMN1; SMN2

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 7 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
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-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

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 ACHE 3001/4885ELANE 1734/4885TP53 1946/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ACHE 3001/4885ELANE 1734/4885TP53 1946/4885

“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.