SCHEMBL214860

SCHEMBL214860

O=C(Nc1c(Cl)cccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccc(OCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
MET P08581 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
CDK9 P50750 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45

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
SCHEMBL215460 0.99 LMNA (0.46) LMNAMAPK1HIF1ATUBB4ATUBB
SCHEMBL2735389 0.95 LMNA (0.45) LMNAMAPK1HIF1ATUBB4ATUBB
SCHEMBL214297 0.90 EPHX2 (0.44) METCHEK2KDM4ESMN1; SMN2RAF1
SCHEMBL213580 0.85 LMNA (0.47) LMNAMAPK1HIF1ATUBB4ATUBB
SCHEMBL216122 0.84 EPHX2 (0.43) LMNAMAPK1HIF1AMETKDM4E
SCHEMBL14222351 0.82 ACHE (0.47) LMNAMAPK1HIF1ATUBB4ATUBB
SCHEMBL216395 0.82 ACHE (0.47) LMNAMAPK1HIF1ATUBB4ATUBB
SCHEMBL215873 0.81 CHEK2 (0.53) LMNAMAPK1HIF1AMETCHEK2
SCHEMBL14222350 0.81 LMNA (0.43) LMNAMAPK1HIF1AACHECHEK2
SCHEMBL215366 0.81 LMNA (0.43) LMNAMAPK1HIF1AACHECHEK2

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 disclosed
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
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
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.