SCHEMBL1711066

SCHEMBL1711066

CS(=O)(=O)OC1CC=C(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
SLC6A4 P31645 1/20 0.32
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TXNRD1 Q16881 2/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL17221079 0.83 KMT2A (0.39) GPR119MEN1KMT2ACCNT1CDK9
SCHEMBL17221080 0.83 KMT2A (0.39) GPR119MEN1KMT2ACCNT1CDK9
SCHEMBL15817586 0.82 GPR119 (0.39) GPR119MEN1KMT2ACCNT1CDK9
SCHEMBL4127422 0.80 MEN1 (0.36) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL13458086 0.80 MEN1 (0.41) GPR119MEN1KMT2AHTTGAA
SCHEMBL1711061 0.80 KMT2A (0.41) GPR119MEN1KMT2ACCNT1CDK9
SCHEMBL16587813 0.72 MEN1 (0.33) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL2694440 0.71 BRS3 (0.34) GPR119MEN1KMT2A
SCHEMBL11912165 0.71 BRS3 (0.34) GPR119MEN1KMT2A
SCHEMBL4439245 0.69 MEN1 (0.42) MEN1KMT2AHTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-8592455-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2013-11-26 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 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 (4 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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GPR119 1963/4885MEN1 2942/4885KMT2A 655/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GPR119 1963/4885MEN1 2942/4885KMT2A 655/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 GPR119 1963/4885MEN1 2942/4885KMT2A 655/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GPR119 1963/4885MEN1 2942/4885KMT2A 655/4885

“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.