SCHEMBL213459

SCHEMBL213459

Cc1ccc(Cl)c(C)c1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FPR1 P21462 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
CHEK1 O14757 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CYP3A4 P08684 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
SCHEMBL214977 0.87 POLB (0.38) POLBLMNAMAPTHPGDGAA
SCHEMBL214451 0.86 POLB (0.37) POLBATP4AATP4BLMNAHPGD
SCHEMBL214939 0.84 POLB (0.36) POLBMAPTHPGDGAATP53
SCHEMBL217154 0.83 POLB (0.36) POLBLMNAHPGDGAASMN1; SMN2
SCHEMBL213499 0.83 POLB (0.42) POLBATP4AATP4BHPGDSMN1; SMN2
SCHEMBL214647 0.83 POLB (0.38) POLBLMNAMAPTHPGDHTT
SCHEMBL214715 0.83 POLB (0.40) POLBLMNAHPGDGAASMN1; SMN2
SCHEMBL213713 0.83 NPC1 (0.38) POLBLMNAMAPTHPGDGAA
SCHEMBL215596 0.82 POLB (0.38) POLBLMNAMAPTHPGDGAA
SCHEMBL216070 0.82 POLB (0.47) POLBLMNAMAPTHPGDGAA

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 5 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-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 POLB 3464/4885ATP4A 4480/4885ATP4B 4661/4885

“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.