SCHEMBL4436306

SCHEMBL4436306

CC(C)(C)OC(=O)NC1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 5/20 0.53
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
POLB P06746 3/20 0.48
F10 P00742 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAP4K4 O95819 2/20 0.45
DPP4 P27487 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27775412 0.91 MAPK1 (0.53) MAPK1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL4434482 0.89 POLB (0.48) ALDH1A1L3MBTL1LMNAJAK3BTK
SCHEMBL4445168 0.89 MAPK1 (0.58) MAPK1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL28913479 0.89 MAPT (0.49) ALDH1A1LMNAJAK3BTKPOLB
SCHEMBL28913476 0.89 MAPT (0.49) ALDH1A1LMNAJAK3BTKPOLB
SCHEMBL4436140 0.88 POLB (0.54) MAPK1ALDH1A1L3MBTL1LMNAJAK3
SCHEMBL28560897 0.88 MAPT (0.51) MAPK1ALDH1A1L3MBTL1LMNAJAK3
SCHEMBL11909441 0.88 MAPT (0.51) MAPK1ALDH1A1L3MBTL1LMNAJAK3
SCHEMBL10188551 0.88 MAPT (0.58) MAPK1ALDH1A1LMNAJAK3BTK
SCHEMBL2976956 0.87 LMNA (0.63) MAPK1ALDH1A1L3MBTL1LMNAJAK3

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 12 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-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-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 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
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
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 MAPK1 216/4885ALDH1A1 2176/4885L3MBTL1 746/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPK1 216/4885ALDH1A1 2176/4885L3MBTL1 746/4885

“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.