SCHEMBL4437077

SCHEMBL4437077

CN(C(=O)O)C1CCCN(c2ccncc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.45
PIM3 Q86V86 9/20 0.42
PIM2 Q9P1W9 9/20 0.42
PIM1 P11309 6/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CDC42BPB Q9Y5S2 2/20 0.41
CDC42BPA Q5VT25 1/20 0.41
MAPT P10636 2/20 0.40
BTK Q06187 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15771417 0.85 MAPT (0.46) ATRMAPTKDM4EMEN1KDM6B
SCHEMBL15783997 0.85 ROCK2 (0.54) ATRPIM3PIM2PIM1ROCK2
SCHEMBL27775379 0.85 PDE10A (0.43) ATRPIM3PIM2PIM1ROCK2
SCHEMBL25253013 0.84 ATR (0.43) ATRROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL25253014 0.84 ATR (0.43) ATRROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL25213424 0.84 ATR (0.43) ATRROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL4439799 0.82 MAPT (0.45) ATRROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL13735041 0.81 ROCK2 (0.38) ATRPIM3PIM2PIM1ROCK2
SCHEMBL25267849 0.81 ATR (0.40) ATRROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL25215421 0.81 ATR (0.40) ATRROCK2ROCK1CDC42BPBCDC42BPA

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 ATR 423/4885PIM3 3/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885PIM3 3/4885PIM2 2/4885

“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.