Sugi Predict

Sugi Predict / Compounds / SCHEMBL4126871

SCHEMBL4126871

SCHEMBL4126871

CC(C)(C)OC(=O)N[C@@H]1C=C(c2ccncc2[N+](=O)[O-])CC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ BRS3 P32247 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL2693491 1.00 KMT2A (0.34) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL2694440 0.86 BRS3 (0.34) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL11912165 0.86 BRS3 (0.34) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL2693885 0.86 GPR119 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL4133054 0.86 GPR119 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL4127006 0.85 BRS3 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL9607182 0.85 BRS3 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL1725546 0.85 BRS3 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL15589037 0.85 BRS3 (0.33) KMT2AMEN1BRS3GPR119DRD2
SCHEMBL15588770 0.85 BRS3 (0.33) KMT2AMEN1BRS3GPR119DRD2

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 7 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-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
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 (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 KMT2A 1446/4885MEN1 3664/4885BRS3 4027/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 1446/4885MEN1 3664/4885BRS3 4027/4885

“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.