SCHEMBL216287

SCHEMBL216287

COc1cccc2[nH]c(N(C(=O)c3nc[nH]c3C(N)=O)c3ccc(OC4CCNCC4)cc3C)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
PARP1 P09874 6/20 0.32
ROCK1 Q13464 2/20 0.31
ROCK2 O75116 1/20 0.31
PRKACA P17612 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKG1 Q13976 1/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
Q6ZSR9 Q6ZSR9 1/20 0.31
BMP2K Q9NSY1 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
KCNH2 Q12809 2/20 0.31
PDE7A Q13946 1/20 0.31
ACVR1B P36896 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 1/20 0.31
MEN1 O00255 2/20 0.30

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
SCHEMBL215755 0.88 CHEK2 (0.39) CHEK2ROCK1ROCK2PRKACAPRKCD
Hydrochloric Acid SCHEMBL213649 0.87 CHEK2 (0.38) CHEK2ROCK1ROCK2PRKACAPRKCD
SCHEMBL216141 0.83 CHEK2 (0.41) CHEK2ROCK1ROCK2PRKACAPRKCD
Hydrochloric Acid SCHEMBL215453 0.82 CHEK2 (0.40) CHEK2ROCK1ROCK2PRKACAPRKCD
SCHEMBL213794 0.80 POLB (0.38) CHEK2ALDH1A1CYP1A2SMN1; SMN2SYK
SCHEMBL214638 0.80 PARP1 (0.35) PARP1PKN1PKN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL215094 0.79 POLB (0.37) CHEK2ALDH1A1CYP1A2SYKLRRK2
SCHEMBL213394 0.78 POLB (0.48) MEN1ALDH1A1KMT2AKDM4EMAPK10
SCHEMBL217127 0.77 HRH3 (0.37) CHEK2PARP1KCNH2BRD4
SCHEMBL214779 0.76 CHEK2 (0.47) CHEK2PARP1ROCK1ROCK2KCNH2

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 8 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
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 CHEK2 412/4885PARP1 3502/4885ROCK1 316/4885

“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.