SCHEMBL11906355

SCHEMBL11906355

CC(C)(C)OC(=O)NC1CCCN(c2ncccc2[N+](=O)[O-])C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.55
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
BTK Q06187 2/20 0.50
MAP4K4 O95819 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 1/20 0.48
JAK3 P52333 1/20 0.48
ALDH1A1 P00352 7/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 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
SCHEMBL28782666 0.91 CYP1A2 (0.50) PDE10ACYP1A2CYP2C9CYP2C19BTK
SCHEMBL12126167 0.90 PDE10A (0.51) PDE10ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3961274 0.88 ALDH1A1 (0.57) PDE10ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13156658 0.84 ALDH1A1 (0.53) PDE10ABTKMAP4K4DPP4JAK3
SCHEMBL4436052 0.84 PDE10A (0.58) PDE10ACYP1A2CYP2C9CYP2C19BTK
SCHEMBL11908583 0.84 ALDH1A1 (0.53) PDE10ABTKMAP4K4DPP4JAK3
SCHEMBL25674569 0.82 DPP4 (0.48) PDE10ABTKMAP4K4DPP4JAK3
SCHEMBL30464444 0.82 DPP4 (0.48) PDE10ABTKMAP4K4DPP4JAK3
SCHEMBL4437574 0.81 BTK (0.48) PDE10ABTKMAP4K4DPP4JAK3
SCHEMBL13833560 0.81 BTK (0.48) PDE10ABTKMAP4K4DPP4JAK3

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 11 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
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 PDE10A 2668/4885CYP1A2 4415/4885CYP2C9 4745/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE10A 2668/4885CYP1A2 4415/4885CYP2C9 4745/4885

“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.