SCHEMBL4131437

SCHEMBL4131437

CO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRM4 P08173 1/20 0.42
RORC P51449 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSL P07711 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ABCB1 P08183 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL20498564 1.00 PDE4B (0.53) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL376879 1.00 PDE4B (0.53) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL25072073 0.92 HSD11B1 (0.48) PDE4BKMT2AL3MBTL1HSD11B1CTSL
SCHEMBL13456796 0.92 KMT2A (0.55) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL14428325 0.92 KMT2A (0.55) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL2821598 0.89 PDE4B (0.54) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL4120545 0.88 PDE4B (0.48) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL1722459 0.88 PDE4B (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL11978265 0.88 KMT2A (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL1710360 0.88 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2022-09-29 US disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP 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-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
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK PDE4B 4193/4885KMT2A 686/4885L3MBTL1 602/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 PDE4B 1716/4885KMT2A 1446/4885L3MBTL1 1858/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE4B 1716/4885KMT2A 1446/4885L3MBTL1 1858/4885
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK PDE4B 4193/4885KMT2A 686/4885L3MBTL1 602/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 PDE4B 3388/4885KMT2A 452/4885L3MBTL1 691/4885

“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.