SCHEMBL965725

SCHEMBL965725

COc1c(-c2nnc(Cc3ccccc3)o2)nc(N2CCCC2=O)c2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
RIPK1 Q13546 7/20 0.36
NPC1 O15118 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
EGFR P00533 5/20 0.34
PDGFRB P09619 5/20 0.34
KDR P35968 5/20 0.34
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34
TUBB8 Q3ZCM7 3/20 0.34
TUBA3E Q6PEY2 3/20 0.34

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
SCHEMBL966823 0.87 CALCA (0.39) RAB9ARIPK1NPC1HPGDSMN1; SMN2
SCHEMBL967981 0.84 PRMT5 (0.37) RAB9ARIPK1NPC1HPGDSMN1; SMN2
SCHEMBL966356 0.80 LMNA (0.41) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL969722 0.80 RAB9A (0.45) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL968379 0.80 CALCA (0.41) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL967547 0.79 AURKA (0.39) RAB9ARIPK1NPC1SMN1; SMN2KDR
SCHEMBL967176 0.78 CALCA (0.43) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL967035 0.77 CALCA (0.43) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL966888 0.72 KDM4E (0.35) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL967751 0.72 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2EGFR

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 RAB9A 2668/4885RIPK1 2026/4885NPC1 220/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RAB9A 2668/4885RIPK1 2026/4885NPC1 220/4885

“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.