SCHEMBL4433773

SCHEMBL4433773

Cc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.47
CTPS1 P17812 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
FFAR2 O15552 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 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
SCHEMBL4555192 0.91 DRD2 (0.48) MAPTPOLBMAPK1LMNADRD2
SCHEMBL4434482 0.89 POLB (0.48) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL4443707 0.88 MAPT (0.53) MAPTPOLBMAPK1CTPS1DRD2
SCHEMBL4445168 0.88 MAPK1 (0.58) MAPTPOLBMAPK1CTPS1SMN1; SMN2
SCHEMBL4439231 0.87 MAPT (0.55) MAPTPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL4439259 0.87 POLB (0.56) MAPTPOLBMAPK1CTPS1SMN1; SMN2
SCHEMBL4437146 0.86 MAPT (0.64) MAPTPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL4442554 0.86 MAPT (0.48) MAPTPOLBMAPK1CTPS1SMN1; SMN2
SCHEMBL14334379 0.86 POLB (0.55) MAPTPOLBCTPS1SMN1; SMN2LMNA
SCHEMBL14067868 0.85 MAPT (0.47) MAPTPOLBMAPK1CTPS1SMN1; SMN2

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 13 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
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 MAPT 4106/4885POLB 2606/4885MAPK1 216/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885POLB 2606/4885MAPK1 216/4885

“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.