SCHEMBL4437664

SCHEMBL4437664

COc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
GPBAR1 Q8TDU6 6/20 0.34
PIM2 Q9P1W9 1/20 0.34
PPID Q08752 1/20 0.33
MAP4K1 Q92918 1/20 0.32
CDC7 O00311 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2C19 P33261 1/20 0.31
AURKA O14965 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
SCHEMBL4444719 0.87 PPID (0.36) KDM4EALDH1A1GLAGAAGPBAR1
SCHEMBL24344231 0.77 CYP1A2 (0.41) KDM4EALDH1A1CYP1A2
SCHEMBL4438213 0.76 PPID (0.32) KDM4EALDH1A1GLAGAAPPID
SCHEMBL11907277 0.74 ALDH1A1 (0.53) KDM4EALDH1A1GLAGAACYP1A1
SCHEMBL4555591 0.72 TAS1R3 (0.39) KDM4EALDH1A1CYP1A2
SCHEMBL4439240 0.72 SYK (0.38) KDM4EALDH1A1GLAGAAGPBAR1
SCHEMBL23892110 0.71 MTNR1A (0.46) AAK1
SCHEMBL4444624 0.71 PIM2 (0.44) PIM2
SCHEMBL22143399 0.70 KDM4E (0.35) KDM4EALDH1A1CYP1A2
SCHEMBL4437085 0.69 SYK (0.39) KDM4EALDH1A1GLAGAAGPBAR1

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 KDM4E 946/4885ALDH1A1 2176/4885GLA 2675/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885ALDH1A1 2176/4885GLA 2675/4885

“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.