SCHEMBL4445771

SCHEMBL4445771

CC(C)(C)OC(=O)Nc1cc(-c2ccncc2N)nc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.39
MAPKAPK2 P49137 2/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
NAMPT P43490 2/20 0.36
LATS1 O95835 3/20 0.35
MAP4K1 Q92918 3/20 0.35
CYP17A1 P05093 2/20 0.35
LATS2 Q9NRM7 1/20 0.35
CFTR P13569 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PPID Q08752 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
SCHEMBL27796427 0.90 AAK1 (0.36) AAK1ACVR1BTGFBR1ACVRL1NAMPT
SCHEMBL4445160 0.86 PIK3CA (0.39) AAK1MAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL4439485 0.85 MAP4K1 (0.37) MAP4K1PPID
SCHEMBL4442417 0.82 PIM2 (0.44) AAK1
SCHEMBL4566008 0.81 MAPKAPK2 (0.36) AAK1MAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL4433849 0.78 IRAK4 (0.40) ACVR1BTGFBR1ACVRL1NAMPTGSK3B
SCHEMBL4434968 0.78 AKT1 (0.39) ACVR1BTGFBR1ACVRL1NAMPTMAP4K1
SCHEMBL27796407 0.76 GAA (0.38) AAK1NAMPTLATS1MAP4K1LATS2
SCHEMBL4438011 0.73 ATF1 (0.42) AAK1MAPKAPK2GSK3BDYRK1A
SCHEMBL4564286 0.73 KDM4E (0.36) CFTRPPID

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 6 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-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 AAK1 269/4885MAPKAPK2 88/4885ACVR1B 2882/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 AAK1 269/4885MAPKAPK2 88/4885ACVR1B 2882/4885

“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.