SCHEMBL214565

SCHEMBL214565

CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC(=O)c3[nH]cnc3C(=O)Nc3nc4ccccc4[nH]3)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
CHEK2 O96017 1/20 0.44
TOP2A P11388 1/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NTSR1 P30989 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL216702 0.93 ALPL (0.45) ALPLALPIALPGCHEK2TOP2A
SCHEMBL215816 0.93 ALPL (0.45) ALPLALPIALPGCHEK2TOP2A
SCHEMBL216823 0.92 ALPL (0.45) ALPLALPIALPGCHEK2TOP2A
SCHEMBL2735435 0.89 NPC1 (0.40) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL215718 0.89 MAPT (0.52) ALPLALPIALPGCHEK2MAPT
SCHEMBL216248 0.89 RAB9A (0.41) CHEK2MAPTNPSR1MEN1KMT2A
SCHEMBL214836 0.89 NPC1 (0.38) MAPTNPSR1L3MBTL1MEN1KMT2A
SCHEMBL214368 0.87 DRD3 (0.41) MAPTMEN1KMT2AATM
SCHEMBL213560 0.87 CHEK2 (0.44) ALPLALPIALPGCHEK2TOP2A
SCHEMBL216754 0.87 MAPT (0.47) ALPLALPIALPGTOP2AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALPL 4363/4885ALPI 4420/4885ALPG 4494/4885

“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.