SCHEMBL213388

SCHEMBL213388

Cc1ccc(N)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
PKM P14618 2/20 0.47
OPRK1 P41145 1/20 0.47
KLF5 Q13887 1/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45

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
SCHEMBL2735385 0.90 NPC1 (0.54) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735267 0.89 NPC1 (0.52) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735269 0.89 NPC1 (0.52) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735331 0.89 RAB9A (0.52) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735268 0.88 GAA (0.65) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL3330011 0.88 KMT2A (0.50) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735270 0.87 KMT2A (0.59) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2759942 0.85 NPC1 (0.54) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL213238 0.84 KMT2A (0.47) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL2735337 0.84 GAA (0.51) GAAKMT2AMEN1RAB9ANPC1

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 11 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
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 437/4885MEN1 3504/4885

“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.