SCHEMBL4132526

SCHEMBL4132526

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GRIN2B Q13224 4/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4126051 1.00 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388039 0.94 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL11978250 0.94 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388042 0.94 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13631060 0.93 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28840263 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376172 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 0.89 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL18247458 0.87 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 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 (6 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 PDE4B 1716/4885SMN1; SMN2 3818/4885NPC1 1582/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE4B 2918/4885SMN1; SMN2 2557/4885NPC1 4325/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE4B 1716/4885SMN1; SMN2 3818/4885NPC1 1582/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE4B 2918/4885SMN1; SMN2 2557/4885NPC1 4325/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 PDE4B 3388/4885SMN1; SMN2 1336/4885NPC1 4665/4885
US-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 PDE4B 3668/4885SMN1; SMN2 1444/4885NPC1 4431/4885

“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.