SCHEMBL1711191

SCHEMBL1711191

CC1(C)CC(c2ccncc2[N+](=O)[O-])=CC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.33
HTT P42858 4/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 3/20 0.31
KDM4E B2RXH2 1/20 0.30
AGTR1 P30556 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
SCHEMBL1711337 0.78 KDM4E (0.34) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL18700540 0.77 PIM1 (0.44) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL2832661 0.77 PIM1 (0.44) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711410 0.77 PIM1 (0.44) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL2832662 0.77 PIM1 (0.44) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711554 0.76 KMT2A (0.43) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711664 0.76 KMT2A (0.44) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL16587793 0.74 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL16587797 0.74 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL9607187 0.74 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTGAA

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 41 patents — showing the first 20. 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-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 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-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
EP-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US 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
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 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 (3 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-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 KMT2A 655/4885MEN1 2942/4885ALDH1A1 2467/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 KMT2A 1446/4885MEN1 3664/4885ALDH1A1 1386/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 655/4885MEN1 2942/4885ALDH1A1 2467/4885

“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.