SCHEMBL11934337

SCHEMBL11934337

CCOC(=O)N1Cc2cnc(N)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 2/20 0.41
KDR P35968 5/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PDGFRB P09619 4/20 0.39

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
SCHEMBL14959505 0.86 PDGFRB (0.44) HSP90AA1HSP90AB1NAMPTKDRDDB1
SCHEMBL11929937 0.82 DDB1 (0.55) HSP90AB1NAMPTKDRMAPTMAPK1
SCHEMBL15530492 0.79 HSP90AB1 (0.47) HSP90AA1HSP90AB1NAMPTKDRMEN1
SCHEMBL11934332 0.77 NAMPT (0.44) NAMPTMEN1ALDH1A1MAPTMAPK1
SCHEMBL13495928 0.75 KDM4E (0.40) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL1425313 0.73 MAPT (0.38) HSP90AA1HSP90AB1KDM4EMEN1ALDH1A1
SCHEMBL1425480 0.73 KDM4E (0.38) HSP90AA1HSP90AB1KDM4EMEN1ALDH1A1
SCHEMBL29934061 0.72 DHFR (0.67) HSP90AB1KDRMEN1ALDH1A1MAPT
SCHEMBL1328894 0.71 DPP8 (0.57) NAMPT
SCHEMBL3537020 0.71 HSP90AB1 (0.58) HSP90AA1HSP90AB1KDRMEN1KMT2A

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-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (4 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 HSP90AA1 3146/4885HSP90AB1 3352/4885KDM4E 4021/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSP90AA1 2838/4885HSP90AB1 2582/4885KDM4E 3330/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HSP90AA1 3146/4885HSP90AB1 3352/4885KDM4E 4021/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 HSP90AA1 3146/4885HSP90AB1 3352/4885KDM4E 4021/4885

“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.