SCHEMBL215903

SCHEMBL215903

NC(=O)c1c(C(=O)Nc2ccc(Br)cc2F)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
PTGFR P43088 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 7/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 6/20 0.39
NPSR1 Q6W5P4 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38

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
SCHEMBL215084 0.90 MAPT (0.43) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL215893 0.88 MAPT (0.43) MAPTKMT2AGAAMEN1NPSR1
SCHEMBL215132 0.83 CYP3A4 (0.44) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL217226 0.83 MEN1 (0.48) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL214337 0.82 NPSR1 (0.45) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL214646 0.81 EPHB3 (0.44) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL214714 0.81 MAPT (0.44) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL214739 0.81 KMT2A (0.48) MAPTL3MBTL1KMT2AGAAMEN1
SCHEMBL216885 0.81 CNR1 (0.42) HTTKDM4ECYP3A4NPC1RAB9A
SCHEMBL215644 0.81 KDM4E (0.41) MAPTL3MBTL1KMT2AGAAMEN1

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 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-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 2138/4885PTGFR 821/4885L3MBTL1 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.