SCHEMBL1723282

SCHEMBL1723282

O=[N+]([O-])c1cnccc1C1=CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.34
HTT P42858 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 1/20 0.32
IKBKE Q14164 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
GAA P10253 1/20 0.30
CHUK O15111 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
SCHEMBL19397897 0.78 TBK1 (0.35) TBK1IKBKESUV39H2
SCHEMBL27191787 0.76 GPBAR1 (0.43) HTTMAPTMEN1KMT2APOLB
SCHEMBL629140 0.76 TBK1 (0.35) TBK1MEN1KMT2AALDH1A1IKBKE
SCHEMBL628329 0.76 TBK1 (0.33) TBK1RAB9AIKBKESUV39H2
SCHEMBL12474571 0.74 ALDH1A1 (0.33) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL629922 0.72 TBK1 (0.39) TBK1HTTMAPTMEN1KMT2A
SCHEMBL4439245 0.72 MEN1 (0.42) HTTMAPTMEN1KMT2APOLB
SCHEMBL16525769 0.71 MEN1 (0.38) HTTMAPTMEN1KMT2APOLB
SCHEMBL1711668 0.71 KMT2A (0.38) HTTMAPTMEN1KMT2APOLB
SCHEMBL1711705 0.71 KMT2A (0.38) HTTMAPTMEN1KMT2APOLB

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 23 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-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
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 TBK1 496/4885HTT 3168/4885MAPT 3029/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TBK1 496/4885HTT 3168/4885MAPT 3029/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 TBK1 496/4885HTT 3168/4885MAPT 3029/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TBK1 496/4885HTT 3168/4885MAPT 3029/4885

“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.