SCHEMBL1711705

SCHEMBL1711705

O=C1CC=C(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 4/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL13458552 0.84 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL4439245 0.78 MEN1 (0.42) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711668 0.77 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL15770800 0.76 HTR2C (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL27191787 0.76 GPBAR1 (0.43) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711669 0.74 MEN1 (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL13458086 0.74 MEN1 (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711061 0.74 KMT2A (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL15770868 0.74 SLC6A4 (0.47) POLBLMNAKDM4E
SCHEMBL1711463 0.71 KMT2A (0.41) KMT2AMEN1ALDH1A1HTTRAB9A

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 22 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-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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 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
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
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.