SCHEMBL214427

SCHEMBL214427

COC(=O)COc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3C)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
ATM Q13315 1/20 0.40
TOP2A P11388 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CHEK2 O96017 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
NTSR1 P30989 1/20 0.37

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
SCHEMBL3992040 0.90 GPR119 (0.36) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL216702 0.89 ALPL (0.45) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL215816 0.89 ALPL (0.45) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL213560 0.86 CHEK2 (0.44) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL213788 0.85 MAPT (0.44) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL215807 0.84 BACE1 (0.40) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL214762 0.84 ALPL (0.43) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL216823 0.83 ALPL (0.45) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL214565 0.82 ALPL (0.45) MAPTNPSR1L3MBTL1ALPLALPI
SCHEMBL2735400 0.82 KMT2A (0.42) MAPTNPSR1ALPLALPIALPG

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 4218/4885L3MBTL1 3660/4885

“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.