SCHEMBL213906

SCHEMBL213906

NC(=O)c1c(C(=O)NCC2CCCCC2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CNR2 P34972 5/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP30 Q70CQ3 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
CD38 P28907 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ITK Q08881 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL215115 0.86 SMN1; SMN2 (0.48) CNR1SMN1; SMN2MAPTHTTNPC1
SCHEMBL213970 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRAB9AADORA2AGAA
SCHEMBL213807 0.81 CHEK2 (0.43) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL215769 0.79 PARP1 (0.46) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL213583 0.79 SLC40A1 (0.48) HSD17B10ADORA2AADORA1
SCHEMBL213719 0.79 ALDH1A1 (0.44) CNR1CNR2SMN1; SMN2MAPTTSHR
SCHEMBL215699 0.79 MAPT (0.43) SMN1; SMN2MAPTLMNAPOLB
SCHEMBL214773 0.78 KDM4E (0.45) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL216607 0.78 TSHR (0.51) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL213851 0.76 L3MBTL1 (0.46) GSK3BSMN1; SMN2MAPTHTTNPC1

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 CNR1 2616/4885CNR2 851/4885GSK3A 199/4885

“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.