SCHEMBL11907461

SCHEMBL11907461

COc1ccc(N2CCC(N)CC2)c(NC(=O)c2nccnc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 10/20 0.60
GSK3B P49841 5/20 0.60
PRKCQ Q04759 5/20 0.60
PRKCA P17252 4/20 0.60
PIM1 P11309 7/20 0.53
PIM3 Q86V86 7/20 0.53
DYRK1A Q13627 2/20 0.49
CSF1R P07333 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL11909646 0.89 PIM2 (0.69) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11907193 0.87 PIM2 (0.56) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11909649 0.87 PRKCQ (0.64) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11907693 0.85 PIM2 (0.54) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11907023 0.85 IRAK4 (0.59) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11906824 0.85 PIM2 (0.56) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11908096 0.83 PIM2 (0.53) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11907132 0.83 PIM2 (0.76) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL14068074 0.83 PRKCQ (0.77) PIM2GSK3BPRKCQPRKCAPIM1
SCHEMBL11907851 0.82 PIM2 (0.53) PIM2GSK3BPRKCQPRKCAPIM1

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 5 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-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
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 PIM2 2/4885GSK3B 285/4885PRKCQ 160/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM2 2/4885GSK3B 285/4885PRKCQ 160/4885

“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.