SCHEMBL214927

SCHEMBL214927

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 6/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 5/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39

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) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL215375 0.90 GAA (0.44) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL14222344 0.89 GAA (0.43) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214518 0.89 GAA (0.43) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2735331 0.88 RAB9A (0.52) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2735463 0.88 GAA (0.47) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL215210 0.87 KMT2A (0.42) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL215846 0.86 GAA (0.44) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2735267 0.86 NPC1 (0.52) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL4100776 0.86 KMT2A (0.44) GAAMAPTKDM4EALDH1A1KMT2A

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 10 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
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 2375/4885MAPT 2138/4885KDM4E 952/4885

“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.