SCHEMBL8228976

SCHEMBL8228976

CC(C)(C)OC(=O)N1Cc2cncnc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
NR1H2 P55055 2/20 0.45
GPR119 Q8TDV5 4/20 0.43
ESR2 Q92731 1/20 0.42
MAPK1 P28482 1/20 0.41
NAMPT P43490 5/20 0.41
HDAC1 Q13547 2/20 0.41
ABHD6 Q9BV23 1/20 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
SCHEMBL29710237 1.00 MAPT (0.47) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL30805657 0.88 MAPT (0.58) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL1620629 0.88 MAPT (0.58) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL11929920 0.88 ESR2 (0.51) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL7669805 0.87 MAPT (0.57) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL7669808 0.87 MAPT (0.57) MAPTDDB1CRBNNR1H2GPR119
SCHEMBL14959492 0.84 HDAC1 (0.48) MAPTDDB1CRBNNAMPTHDAC1
SCHEMBL28419943 0.83 NAMPT (0.44) MAPTDDB1CRBNNR1H2NAMPT
SCHEMBL11934332 0.81 NAMPT (0.44) MAPTMAPK1NAMPTHDAC1ABHD6
SCHEMBL23309152 0.81 RIPK1 (0.45) NAMPTHDAC1ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244048-A Pyridopyrimidine derivatives useful for modulating AhR signaling 捷豹治疗有限公司 2022-10-25 CN disclosed
CN-113939295-A Pyridazinones and methods of use thereof 金翅雀生物公司 2022-01-14 CN disclosed
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
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
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 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 (5 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 MAPT 1444/4885DDB1 1547/4885CRBN 1979/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MAPT 4041/4885DDB1 1326/4885CRBN 1764/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A MAPT 1378/4885DDB1 2777/4885CRBN 2158/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAPT 1444/4885DDB1 1547/4885CRBN 1979/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MAPT 1444/4885DDB1 1547/4885CRBN 1979/4885

“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.