SCHEMBL213894

SCHEMBL213894

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2c([nH]1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
KMT2A Q03164 8/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 6/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34

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
SCHEMBL2759991 0.89 GAA (0.44) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL213885 0.83 GAA (0.48) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2735463 0.81 GAA (0.47) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL214362 0.81 GAA (0.47) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2735397 0.80 GAA (0.49) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL213992 0.80 GAA (0.49) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2735331 0.80 RAB9A (0.52) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL215846 0.78 GAA (0.44) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL215375 0.78 GAA (0.44) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL214927 0.78 GAA (0.43) GAAKMT2AALDH1A1MAPTSMN1; SMN2

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 GAA 2375/4885KMT2A 437/4885ALDH1A1 4295/4885

“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.