SCHEMBL1711554

SCHEMBL1711554

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL1711669 0.77 MEN1 (0.41) KMT2AHTTRAB9AGAAMEN1
SCHEMBL1712001 0.76 MEN1 (0.39) KMT2AHTTNPC1RAB9AGAA
SCHEMBL15600496 0.76 MEN1 (0.39) KMT2AHTTNPC1RAB9AGAA
SCHEMBL29791967 0.76 MEN1 (0.39) KMT2AHTTNPC1RAB9AGAA
SCHEMBL1711191 0.76 KMT2A (0.36) KMT2AHTTL3MBTL1RAB9AGAA
SCHEMBL1711882 0.75 MEN1 (0.35) KMT2AHTTRAB9AGAAMEN1
SCHEMBL12087968 0.73 MEN1 (0.36) KMT2AHTTRAB9AGAAMEN1
SCHEMBL1711337 0.72 KDM4E (0.34) KMT2AHTTL3MBTL1RAB9AGAA
SCHEMBL12488355 0.71 MEN1 (0.36) KMT2AHTTRAB9AGAAMEN1
SCHEMBL12089197 0.71 MEN1 (0.36) KMT2AHTTRAB9AGAAMEN1

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 43 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
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-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
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 655/4885HTT 3168/4885L3MBTL1 750/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 KMT2A 1446/4885HTT 3844/4885L3MBTL1 1858/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 655/4885HTT 3168/4885L3MBTL1 750/4885

“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.