SCHEMBL213579

SCHEMBL213579

CN(C)CCOc1ccc2nc(NC(=O)c3c(C(N)=O)ncn3-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
WEE1 P30291 1/20 0.42
CHEK2 O96017 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
MET P08581 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
CDK9 P50750 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL215459 0.87 CHEK2 (0.46) LMNAMAPK1HIF1ARAF1BRAF
SCHEMBL214529 0.87 HRH3 (0.42) LMNAMAPK1HIF1ABRAFWEE1
SCHEMBL214859 0.86 CHEK2 (0.47) LMNAMAPK1HIF1ARAF1BRAF
SCHEMBL215714 0.83 LMNA (0.42) LMNAMAPK1HIF1ARAF1BRAF
SCHEMBL215076 0.80 CHEK2 (0.47) LMNAMAPK1HIF1ARAF1BRAF
SCHEMBL214296 0.80 CHEK2 (0.43) RAF1BRAFCHEK2METSMN1; SMN2
SCHEMBL216121 0.79 KDM4E (0.38) LMNAMAPK1HIF1ACHEK2MET
SCHEMBL214391 0.78 RPS6KA2 (0.45) WEE1CHEK2SMN1; SMN2KDR
SCHEMBL217152 0.77 CHEK2 (0.47) LMNAMAPK1HIF1ACHEK2DYRK3
SCHEMBL216399 0.76 LMNA (0.45) LMNAMAPK1HIF1ACHEK2TUBB4A

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 7 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
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 LMNA 4821/4885MAPK1 354/4885HIF1A 2098/4885

“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.