SCHEMBL214940

SCHEMBL214940

CCN(CC)CCOc1ccc2[nH]c(NC(=O)c3c(C(N)=O)ncn3-c3cc(Br)ccc3C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
KDR P35968 2/20 0.36
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
ITK Q08881 1/20 0.36
MAP4K2 Q12851 1/20 0.36
DYRK1A Q13627 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
PIM3 Q86V86 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
SCHEMBL215714 0.88 LMNA (0.42) HDAC6LMNAMAPK1HIF1AKDR
SCHEMBL213923 0.86 CHEK2 (0.41) FLT3MEN1KMT2AMAOBKDM4E
SCHEMBL216098 0.86 KCNA5 (0.37) LMNAMAPK1HIF1ALCKFLT3
SCHEMBL213820 0.86 HRH4 (0.39) LMNAMAPK1HIF1ARAB9A
SCHEMBL213710 0.86 ITGB3 (0.37) LMNAMAPK1HIF1AFLT3MEN1
SCHEMBL213684 0.85 ITGB3 (0.38) LMNAMAPK1HIF1ALCK
SCHEMBL213243 0.85 CHEK2 (0.35) LMNAMAPK1HIF1AAURKBMEN1
Hydrochloric Acid SCHEMBL213384 0.85 ITGB3 (0.38) LMNAMAPK1HIF1AFLT3MEN1
SCHEMBL214629 0.85 HRH3 (0.39) KDRAURKBMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL213174 0.85 ITGB3 (0.39) LMNAMAPK1HIF1ALCK

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
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 HDAC6 624/4885LMNA 4821/4885MAPK1 354/4885

“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.