SCHEMBL11908031

SCHEMBL11908031

N[C@H]1CCCN(c2[c]cncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
PBK Q96KB5 1/20 0.43
DOT1L Q8TEK3 1/20 0.41
PIM1 P11309 7/20 0.40
PIM2 Q9P1W9 6/20 0.40
PIM3 Q86V86 4/20 0.40
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
CDC42BPB Q9Y5S2 3/20 0.39
CDC42BPA Q5VT25 1/20 0.39
MAP4K4 O95819 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
ADRA1D P25100 2/20 0.37
ADRA1B P35368 2/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL4468018 0.79 CHKA (0.48) ROCK2ROCK1HRH4
SCHEMBL4467284 0.78 CHKA (0.47) ROCK2ROCK1HRH4
SCHEMBL20310297 0.77 CHKA (0.57) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL21341421 0.77 CHKA (0.57) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL4770024 0.72 MAPT (0.37) PRKCDPIM1ROCK2ROCK1CDC42BPA
SCHEMBL13178239 0.72 MAP4K4 (0.51) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL30503827 0.72 MAP4K4 (0.51) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL11907379 0.71 PIM2 (0.53) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL11906992 0.71 PIM2 (0.56) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL11908053 0.71 PIM2 (0.56) PRKCBPRKCAPRKCHPRKCEPRKCQ

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 PRKCB 94/4885PRKCA 68/4885PRKCH 78/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PRKCB 94/4885PRKCA 68/4885PRKCH 78/4885

“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.