SCHEMBL968365

SCHEMBL968365

O=C(NCc1ccccc1)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KIT P10721 8/20 0.46
CALCA P06881 2/20 0.45
SMO Q99835 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
DGAT1 O75907 1/20 0.41
LMNA P02545 1/20 0.41
TTK P33981 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.85 GRIA1 (0.44) CALCASMOALDH1A1DGAT1
SCHEMBL966583 0.83 ALDH1A1 (0.52) TP53SMOALDH1A1TSHRLMNA
SCHEMBL969656 0.82 CALCA (0.39) TP53CALCAALDH1A1LMNASMN1; SMN2
SCHEMBL968016 0.81 CALCA (0.39) TP53CALCAALDH1A1TSHRLMNA
SCHEMBL967824 0.80 GRIA1 (0.42) TP53CALCALMNASMN1; SMN2
SCHEMBL968379 0.79 CALCA (0.41) TP53CALCALMNASMN1; SMN2
SCHEMBL967148 0.79 ALDH1A1 (0.47) TP53CALCAALDH1A1TSHRDGAT1
SCHEMBL967087 0.78 GRIN2B (0.37) TP53CALCALMNA
SCHEMBL965304 0.78 CALCA (0.41) TP53CALCAALDH1A1LMNASMN1; SMN2
SCHEMBL966316 0.78 GBA1 (0.45) ALDH1A1LMNA

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 8 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-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 TP53 1946/4885KIT 4423/4885CALCA 4461/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR TP53 1946/4885KIT 4423/4885CALCA 4461/4885

“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.