SCHEMBL4433849

SCHEMBL4433849

CC(C)(C)OC(=O)Nc1cc(-c2ccncc2NC(=O)c2cccc(Br)n2)nc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
GSK3A P49840 9/20 0.37
GSK3B P49841 9/20 0.37
GRM5 P41594 1/20 0.37
PIM2 Q9P1W9 4/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 3/20 0.36
ACVR1B P36896 2/20 0.35
TGFBR1 P36897 2/20 0.35
ACVRL1 P37023 2/20 0.35
NTRK1 P04629 1/20 0.34
NAMPT P43490 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4563956 0.88 GSK3A (0.42) GSK3AGSK3BGRM5PIM2PIM1
SCHEMBL4442417 0.85 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL4566008 0.79 MAPKAPK2 (0.36) PIM2PIM1PIM3ACVR1BTGFBR1
SCHEMBL4445771 0.78 AAK1 (0.39) GSK3BACVR1BTGFBR1ACVRL1NAMPT
SCHEMBL4434968 0.76 AKT1 (0.39) GSK3AGSK3BACVR1BTGFBR1ACVRL1
SCHEMBL4444149 0.74 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL4437161 0.70 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL11984686 0.70 PIM2 (0.56) PIM2PIM1PIM3
SCHEMBL24021427 0.69 GRM5 (0.49) GRM5NAMPTRXFP1
SCHEMBL27796427 0.69 AAK1 (0.36) ACVR1BTGFBR1ACVRL1NAMPT

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 8 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
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 IRAK4 218/4885GSK3A 252/4885GSK3B 285/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 IRAK4 218/4885GSK3A 252/4885GSK3B 285/4885

“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.