SCHEMBL212725

SCHEMBL212725

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N(C)CCc2ccccn2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 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
SCHEMBL214875 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL4105577 0.73 GAA (0.55) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL213157 0.73 MAPT (0.80) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL216597 0.72 MAPT (0.54) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL12835154 0.70 MEN1 (0.67) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL216711 0.69 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL216648 0.69 KMT2A (0.57) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL18773935 0.69 KDM4E (0.64) MEN1KMT2AKDM4ETDP1HIF1A
SCHEMBL214010 0.69 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL2759942 0.68 NPC1 (0.54) ALDH1A1MEN1KMT2AGAALMNA

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 6 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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 ALDH1A1 4295/4885MEN1 3504/4885KMT2A 437/4885

“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.