SCHEMBL215718

SCHEMBL215718

CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC(=O)c3nc[nH]c3C(=O)Nc3nc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 4/20 0.52
ATM Q13315 1/20 0.49
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CHEK2 O96017 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NTSR1 P30989 1/20 0.43
PDE10A Q9Y233 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 0.89 ALPL (0.45) MAPTNPSR1ATMALPLALPI
SCHEMBL214565 0.89 ALPL (0.45) MAPTNPSR1ATMALPLALPI
SCHEMBL215816 0.89 ALPL (0.45) MAPTNPSR1ATMALPLALPI
SCHEMBL216823 0.89 ALPL (0.45) MAPTNPSR1ATMALPLALPI
SCHEMBL214390 0.89 KDM4E (0.46) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL216754 0.89 MAPT (0.47) MAPTNPSR1ATMALPLALPI
SCHEMBL3986608 0.88 MAPT (0.42) MAPTNPSR1ATMKMT2AMAPK1
SCHEMBL2759955 0.87 MAPT (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2735352 0.86 MAPT (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2735293 0.84 SMN1; SMN2 (0.46) MAPTMEN1KMT2APOLBALDH1A1

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 10 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
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 MAPT 2138/4885NPSR1 4218/4885ATM 764/4885

“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.