SCHEMBL14802437

SCHEMBL14802437

Cn1cc(-c2ccc(CNC(=O)OC(C)(C)C)cc2F)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
HDAC1 Q13547 1/20 0.40
NSD2 O96028 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
BRD4 O60885 4/20 0.39
NAMPT P43490 1/20 0.39
CREBBP Q92793 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCKBR P32239 1/20 0.37
HPN P05981 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
AKT1 P31749 1/20 0.36

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
SCHEMBL26479774 0.84 HDAC1 (0.47) GRM2HDAC1BRD4NAMPTL3MBTL1
SCHEMBL13837691 0.81 NAMPT (0.47) HDAC1BRD4NAMPTL3MBTL1HDAC10
SCHEMBL29773357 0.81 BRD4 (0.51) HDAC1PDCD1CD274BRD4NAMPT
SCHEMBL27910506 0.81 BRD4 (0.51) HDAC1PDCD1CD274BRD4NAMPT
SCHEMBL29925016 0.81 HDAC1 (0.52) GRM2HDAC1PDCD1CD274BRD4
SCHEMBL24999627 0.76 GRM2 (0.49) GRM2HDAC1NAMPTL3MBTL1
SCHEMBL29769069 0.76 GRM2 (0.49) GRM2HDAC1NAMPTL3MBTL1
SCHEMBL29369357 0.74 HDAC1 (0.51) GRM2HDAC1NAMPTL3MBTL1HPN
SCHEMBL1912411 0.74 NSD2 (0.46) GRM2NSD2BRD4CREBBP
SCHEMBL29924767 0.73 KCNA5 (0.47) GRM2HDAC1NSD2PDCD1CD274

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-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 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 (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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 GRM2 4040/4885HDAC1 830/4885NSD2 1471/4885

“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.