SCHEMBL11909372

SCHEMBL11909372

Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.77
LRRK2 Q5S007 1/20 0.56
PLK4 O00444 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
ROS1 P08922 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
MARK3 P27448 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
CLK2 P49760 1/20 0.54
CSNK1G2 P78368 1/20 0.54
MAP4K2 Q12851 1/20 0.54
ROCK1 Q13464 1/20 0.54
NTRK3 Q16288 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
AURKB Q96GD4 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54

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
SCHEMBL11992019 0.88 ATR (0.67) ATRLRRK2PLK4JAK2MAP4K4
SCHEMBL2486708 0.87 ATR (1.00) ATR
SCHEMBL29923359 0.87 ATR (1.00) ATR
SCHEMBL2934913 0.84 ATR (0.67) ATRLRRK2PLK4JAK2MAP4K4
SCHEMBL2482176 0.81 ATR (1.00) ATR
SCHEMBL11992018 0.81 ATR (0.58) ATRLRRK2HPGD
SCHEMBL3461273 0.81 ATR (0.68) ATRJAK2
SCHEMBL11984519 0.79 ATR (0.72) ATR
SCHEMBL11909553 0.79 ATR (0.72) ATR
SCHEMBL11984422 0.78 PRKCA (0.72) ATR

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 3 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
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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 (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 ATR 423/4885LRRK2 1018/4885PLK4 264/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885LRRK2 1018/4885PLK4 264/4885

“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.