SCHEMBL4436034

SCHEMBL4436034

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)c3ccccc3)cc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
KDM4E B2RXH2 5/20 0.49
GAA P10253 3/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NR4A1 P22736 1/20 0.49
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
NAMPT P43490 1/20 0.46
KCNA3 P22001 1/20 0.46
DRD2 P14416 4/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4436856 0.89 NPC1 (0.51) NPC1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL4445108 0.87 KDM4E (0.53) NPC1SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL14334990 0.86 KDM4E (0.67) NPC1SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL4442573 0.85 KDM4E (0.51) NPC1SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL4434433 0.84 POLB (0.55) SMN1; SMN2CKS1BSKP1SKP2KDM4E
SCHEMBL1271996 0.83 CKS1B (0.55) CKS1BSKP1SKP2GAAKDM1A
SCHEMBL28013301 0.82 NPC1 (0.50) NPC1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL4442557 0.82 CKS1B (0.47) NPC1CKS1BSKP1SKP2KDM4E
SCHEMBL4437152 0.81 POLB (0.48) NPC1CKS1BSKP1SKP2KDM4E
SCHEMBL30172721 0.81 ALDH1A1 (0.48) NPC1CKS1BSKP1SKP2KDM4E

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 NPC1 4325/4885SMN1; SMN2 2557/4885CKS1B 178/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 NPC1 4325/4885SMN1; SMN2 2557/4885CKS1B 178/4885

“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.