SCHEMBL4445160

SCHEMBL4445160

Cc1nc(NC(=O)OC(C)(C)C)cc(-c2ccncc2N)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
MAP4K1 Q92918 4/20 0.39
NAMPT P43490 2/20 0.38
PPID Q08752 1/20 0.38
MAPKAPK2 P49137 2/20 0.37
LATS1 O95835 3/20 0.37
CYP17A1 P05093 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
LATS2 Q9NRM7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36

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
SCHEMBL27796407 0.89 GAA (0.38) PIK3CAMAP4K1NAMPTPPIDLATS1
SCHEMBL4445771 0.86 AAK1 (0.39) MAP4K1NAMPTPPIDMAPKAPK2LATS1
SCHEMBL4444149 0.81 PIM2 (0.44) PIK3CA
SCHEMBL4437161 0.80 PIM2 (0.44)
SCHEMBL4555787 0.78 TGFBR1 (0.36) PIK3CAMAP4K1NAMPTMAPKAPK2LATS1
SCHEMBL27796427 0.76 AAK1 (0.36) MAP4K1NAMPTPPIDLATS1AAK1
SCHEMBL13833531 0.74 CYP17A1 (0.45) NAMPTPPIDMAPKAPK2CYP17A1AAK1
SCHEMBL5746021 0.73 NAMPT (0.47) NAMPTCYP17A1AAK1KDM4EALDH1A1
SCHEMBL4439485 0.71 MAP4K1 (0.37) MAP4K1PPIDKDM4EALDH1A1
SCHEMBL4443611 0.71 LCK (0.41) GSK3BDYRK1A

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 6 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
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 PIK3CA 153/4885MAP4K1 43/4885NAMPT 2779/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIK3CA 153/4885MAP4K1 43/4885NAMPT 2779/4885

“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.