SCHEMBL4437741

SCHEMBL4437741

Cc1cc(-c2ccncc2[N+](=O)[O-])cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HIPK2 Q9H2X6 1/20 0.31
GPBAR1 Q8TDU6 3/20 0.31
GPR119 Q8TDV5 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
AGTR1 P30556 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4444070 0.87 SYK (0.37) SYKHIPK2AAK1
SCHEMBL4439240 0.83 SYK (0.38) SYKMAPTMEN1KMT2AGPBAR1
SCHEMBL4445216 0.73 PIM2 (0.41) MAPTGAAHTTALDH1A1
SCHEMBL13833493 0.72 CYP17A1 (0.42) MAPTGAAHTTPOLBALDH1A1
SCHEMBL4443965 0.71 PIM2 (0.50) SYK
SCHEMBL3961865 0.70 MAPT (0.35) SYKMAPTHTTKDM4EPOLB
SCHEMBL30176181 0.70 MAPT (0.35) SYKMAPTHTTKDM4EPOLB
SCHEMBL15109548 0.70 PIM2 (0.42) SYKAAK1
SCHEMBL4437085 0.70 SYK (0.39) SYKGPBAR1AAK1GAAKDM4E
SCHEMBL3956395 0.69 MAPT (0.38) SYKMAPTMEN1KMT2ACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (2 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SYK 77/4885MAPT 4106/4885MEN1 3897/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SYK 77/4885MAPT 4106/4885MEN1 3897/4885

“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.