SCHEMBL213893

SCHEMBL213893

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2c([nH]1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.32
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL213884 0.84 HCAR1 (0.33) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL213991 0.80 GABRG2 (0.31) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL215845 0.79 IRAK4 (0.39) MAPTRXFP1
SCHEMBL215374 0.79 ABL1 (0.37) MAPTRXFP1HCAR1
SCHEMBL214517 0.79 RAB9A (0.37) MAPTRXFP1
SCHEMBL214926 0.79 RAB9A (0.37) MAPTRXFP1HCAR1
SCHEMBL214609 0.78 MAOB (0.46) MAPT
SCHEMBL213975 0.77 KMT2A (0.42) MAPTRXFP1
SCHEMBL215824 0.77 RAB9A (0.41) MAPTRXFP1
SCHEMBL216764 0.76 KCNH2 (0.40) MAPT

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 4 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-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 2138/4885RXFP1 4143/4885GABRG2 1188/4885

“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.