SCHEMBL1711916

SCHEMBL1711916

O=C(O)NC1C=C(c2ccncc2[N+](=O)[O-])CCC1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 6/20 0.36
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
HTT P42858 4/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1711919 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1PIM1PIM3
SCHEMBL4126871 0.85 KMT2A (0.34) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL2693491 0.85 KMT2A (0.34) KMT2AMEN1PIM1PIM3PIM2
SCHEMBL16698753 0.81 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711565 0.81 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL16698755 0.81 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711567 0.81 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711202 0.80 MEN1 (0.33) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL1711198 0.80 MEN1 (0.33) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL13734994 0.75 KMT2A (0.40) KMT2AMEN1ALDH1A1PIM1PIM3

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 10 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
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-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-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

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 KMT2A 655/4885MEN1 2942/4885ALDH1A1 2467/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KMT2A 655/4885MEN1 2942/4885ALDH1A1 2467/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 KMT2A 655/4885MEN1 2942/4885ALDH1A1 2467/4885
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.