SCHEMBL216703

SCHEMBL216703

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ATM Q13315 1/20 0.51
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.43
CHEK2 O96017 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
HDAC1 Q13547 1/20 0.43
GPR55 Q9Y2T6 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
SCHEMBL2735454 1.00 MAPT (0.55) MAPTNPSR1ATMALPLALPI
SCHEMBL14222312 0.91 MAPT (0.55) MAPTNPSR1ATMALPLALPI
SCHEMBL2759960 0.88 KDM4E (0.50) MAPTNPSR1L3MBTL1KMT2AALDH1A1
SCHEMBL215162 0.85 KDM4E (0.52) MAPTL3MBTL1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL215996 0.85 KDM4E (0.51) MAPTL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL216022 0.79 CHEK2 (0.46) MAPTNPSR1ATMALPLALPI
SCHEMBL2735440 0.79 CHEK2 (0.47) MAPTNPSR1ATMALPLALPI
SCHEMBL215916 0.79 NPSR1 (0.43) MAPTNPSR1ATMALPLALPI
SCHEMBL13300426 0.78 NPSR1 (0.45) MAPTNPSR1ATMALPLALPI
SCHEMBL214382 0.78 ALDH1A1 (0.46) MAPTL3MBTL1KMT2AALDH1A1KDM4E

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 8 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 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.