SCHEMBL3333218

SCHEMBL3333218

O=C(O)NCCc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 4/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.44
SCD O00767 1/20 0.43
OPRK1 P41145 1/20 0.43
KLF5 Q13887 1/20 0.43

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
SCHEMBL2735279 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL2735317 0.88 GAA (0.48) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL14222685 0.87 BCHE (0.54) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL2735272 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL2735312 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL214747 0.84 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL2735320 0.83 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL2735268 0.83 GAA (0.65) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL2735281 0.82 NPC1 (0.48) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL2735350 0.81 NPC1 (0.51) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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-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-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 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.