SCHEMBL4131924

SCHEMBL4131924

CC(C)(C)OC(=O)N[C@@H]1C=C(c2ccncc2N)CC[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.34
BRS3 P32247 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NAMPT P43490 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2833150 1.00 GPR119 (0.34) GPR119BRS3PDE5APDE4APDE1A
SCHEMBL13421779 1.00 GPR119 (0.34) GPR119BRS3PDE5APDE4APDE1A
SCHEMBL1711911 0.90 KDM4E (0.32) GPR119KDM4EALDH1A1GLAGAA
SCHEMBL2693885 0.86 GPR119 (0.33) GPR119BRS3CCNCCDK8HASPIN
SCHEMBL4133054 0.86 GPR119 (0.33) GPR119BRS3CCNCCDK8HASPIN
SCHEMBL1711202 0.75 MEN1 (0.33) ALDH1A1GAA
SCHEMBL1711198 0.75 MEN1 (0.33) ALDH1A1GAA
SCHEMBL2833542 0.74 BRS3 (0.36) GPR119BRS3NAMPTKDM4EALDH1A1
SCHEMBL4119721 0.74 BRS3 (0.36) GPR119BRS3NAMPTKDM4EALDH1A1
SCHEMBL17286156 0.73 BRS3 (0.34) GPR119BRS3KDM4EALDH1A1GLA

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 5 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
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP 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-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 (2 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 GPR119 1000/4885BRS3 4027/4885PDE5A 1415/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GPR119 1000/4885BRS3 4027/4885PDE5A 1415/4885

“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.