SCHEMBL4566819

SCHEMBL4566819

CC1(C)OB(c2ccncc2NC(=O)OCc2ccccc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 5/20 0.46
ROCK2 O75116 1/20 0.43
NAMPT P43490 2/20 0.42
MAOB P27338 1/20 0.42
MAP4K1 Q92918 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL615738 0.78 AAK1 (0.41) RAB9ANAMPT
SCHEMBL15897826 0.77 SMN1; SMN2 (0.46) POLBNPC1RAB9AROCK2SMN1; SMN2
SCHEMBL397013 0.77 NPC1 (0.45) POLBNPC1RAB9AMAOBMAP4K1
SCHEMBL12772940 0.76 NPC1 (0.51) POLBNPC1RAB9AMAOBCASP3
SCHEMBL28822828 0.76 POLB (0.51) POLBNPC1RAB9AROCK2NAMPT
SCHEMBL29789810 0.76 POLB (0.51) POLBNPC1RAB9AROCK2NAMPT
SCHEMBL4435014 0.75 POLB (0.62) POLBNPC1RAB9ATRPV1ROCK2
SCHEMBL15019749 0.75 NPC1 (0.47) POLBNPC1RAB9AMAOBCASP3
SCHEMBL4823829 0.75 POLB (0.54) POLBNPC1RAB9AROCK2NAMPT
SCHEMBL2116996 0.74 NPC1 (0.48) POLBNPC1RAB9AMAOBCASP3

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 9 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-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
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 POLB 2606/4885NPC1 4325/4885RAB9A 4183/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885NPC1 4325/4885RAB9A 4183/4885

“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.