SCHEMBL216608

SCHEMBL216608

NC(=O)c1[nH]cnc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.46
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 4/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.41
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
TACR2 P21452 1/20 0.39
HTT P42858 1/20 0.37
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL213324 0.79 LTA4H (0.46) KDM4ETSHRLTA4HALDH1A1NPC1
SCHEMBL215286 0.79 LTA4H (0.46) KDM4ERAB9ALTA4HALDH1A1NPC1
SCHEMBL213971 0.78 PAX8 (0.43) KDM4EHSD17B10GAARAB9AHPGD
SCHEMBL214317 0.78 LTA4H (0.41) LTA4H
SCHEMBL213907 0.77 NPC1 (0.41) KDM4ERAB9AALDH1A1NPC1MEN1
SCHEMBL213584 0.77 CYP1A2 (0.38) KDM4EGAAHPGDALDH1A1HTT
SCHEMBL215700 0.75 SMN1; SMN2 (0.40) KDM4EHSD17B10GAARAB9ANPC1
SCHEMBL213720 0.75 ALDH1A1 (0.41) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL214367 0.74 FAAH (0.40) GAARAB9ANPC1TP53SMN1; SMN2
SCHEMBL215003 0.74 SMN1; SMN2 (0.37) KDM4EGAARAB9AHPGDALDH1A1

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 7 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
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
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 CASR 4532/4885KDM4E 952/4885HSD17B10 3514/4885

“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.