SCHEMBL216141

SCHEMBL216141

Cc1cc(OC2CCNCC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.41
TOP2A P11388 3/20 0.32
HSP90AB1 P08238 2/20 0.32
ROCK1 Q13464 2/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKG1 Q13976 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
Q6ZSR9 Q6ZSR9 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
Hydrochloric Acid SCHEMBL215453 0.99 CHEK2 (0.40) CHEK2TOP2AHSP90AB1ROCK1ROCK2
SCHEMBL215755 0.90 CHEK2 (0.39) CHEK2ROCK1ROCK2PRKACAPRKCD
Hydrochloric Acid SCHEMBL213649 0.90 CHEK2 (0.38) CHEK2TOP2AHSP90AB1ROCK1ROCK2
SCHEMBL216287 0.83 CHEK2 (0.35) CHEK2ROCK1ROCK2PRKACAPRKCD
SCHEMBL213794 0.82 POLB (0.38) CHEK2
SCHEMBL4551453 0.82 KIT (0.33)
Hydrochloric Acid SCHEMBL215094 0.82 POLB (0.37) CHEK2
SCHEMBL217127 0.80 HRH3 (0.37) CHEK2KCNH2
SCHEMBL214779 0.80 CHEK2 (0.47) CHEK2ROCK1ROCK2KCNH2
SCHEMBL216235 0.78 KDM4E (0.38) CHEK2

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 CHEK2 412/4885TOP2A 1957/4885HSP90AB1 1319/4885

“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.