SCHEMBL214518

SCHEMBL214518

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 5/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 3/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL214362 0.94 GAA (0.47) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL2735461 0.93 GAA (0.43) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL215846 0.90 GAA (0.44) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL214927 0.89 GAA (0.43) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL2735331 0.88 RAB9A (0.52) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL2735463 0.88 GAA (0.47) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL215210 0.87 KMT2A (0.42) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL215375 0.86 GAA (0.44) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL2735269 0.86 NPC1 (0.52) GAAKMT2AALDH1A1MEN1HPGD
SCHEMBL4100776 0.86 KMT2A (0.44) GAAKMT2AALDH1A1MEN1HPGD

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 12 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-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.