SCHEMBL4444719

SCHEMBL4444719

Cc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAP4K1 Q92918 8/20 0.33
DYRK1A Q13627 1/20 0.32
PIM2 Q9P1W9 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4437664 0.87 KDM4E (0.34) PPIDKDM4EALDH1A1GLAGAA
SCHEMBL4444624 0.80 PIM2 (0.44) PIM2
SCHEMBL4439240 0.80 SYK (0.38) PPIDKDM4EALDH1A1GLAGAA
SCHEMBL24326710 0.78 CRHR1 (0.40) ALDH1A1GAAGPBAR1MEN1MAPT
SCHEMBL4438213 0.78 PPID (0.32) PPIDKDM4EALDH1A1GLAGAA
SCHEMBL4437706 0.76 TRPV1 (0.42) MAP4K1
SCHEMBL15104444 0.74 MAP4K1 (0.30) MAP4K1
SCHEMBL4445160 0.71 PIK3CA (0.39) PPIDKDM4EALDH1A1GLAGAA
SCHEMBL4437085 0.71 SYK (0.39) PPIDKDM4EALDH1A1GLAGAA
SCHEMBL11909041 0.71 HSP90AA1 (0.50) MEN1KMT2A

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 PPID 2858/4885KDM4E 946/4885ALDH1A1 2176/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PPID 2858/4885KDM4E 946/4885ALDH1A1 2176/4885

“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.