SCHEMBL213525

SCHEMBL213525

Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)NNc1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
OPRK1 P41145 1/20 0.44
KLF5 Q13887 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2735268 0.91 GAA (0.65) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735280 0.84 GAA (0.55) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2759942 0.81 NPC1 (0.54) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735385 0.81 NPC1 (0.54) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735292 0.81 NPC1 (0.51) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL216809 0.81 RAB9A (0.52) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735337 0.80 GAA (0.51) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735338 0.80 KMT2A (0.50) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL2735267 0.80 NPC1 (0.52) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL214896 0.80 NPC1 (0.52) GAAKMT2AALDH1A1MEN1MAPT

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 9 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
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.