SCHEMBL1506077

SCHEMBL1506077

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nc(-c3ccccn3)cs2)c1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.36
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1554037 0.92 MAPT (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2134704 0.91 CDK5 (0.41) CDK5CDK5R1NAMPTKMT2A
SCHEMBL2131025 0.89 NPC1 (0.37) NPC1RAB9ASMN1; SMN2CDK5CDK5R1
SCHEMBL2135642 0.89 TGFBR1 (0.37) CDK5CDK5R1
SCHEMBL1506075 0.87 NPC1 (0.42) NPC1RAB9A
SCHEMBL2132961 0.86 CDK5 (0.36) NPC1RAB9ASMN1; SMN2CDK5CDK5R1
SCHEMBL2132617 0.86 CYP19A1 (0.41) CDK5CDK5R1
SCHEMBL2133723 0.85 MAPK1 (0.38)
SCHEMBL1505684 0.84 PKM (0.38) CDK5CDK5R1NAMPT
SCHEMBL1553153 0.84 KDM4E (0.36) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 NPC1 1917/4885RAB9A 2690/4885SMN1; SMN2 2886/4885

“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.