SCHEMBL216395

SCHEMBL216395

Cc1ccc(Br)c(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccc(OCCN4CCCCC4)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CHEK2 O96017 2/20 0.41
KDR P35968 1/20 0.40
USP2 O75604 1/20 0.40
FLT3 P36888 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL14222351 0.91 ACHE (0.47) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL215366 0.88 LMNA (0.43) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL14222350 0.85 LMNA (0.43) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL215871 0.84 LMNA (0.43) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL3327359 0.84 LMNA (0.43) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL214860 0.82 LMNA (0.45) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL215460 0.81 LMNA (0.46) ACHELMNAMAPK1HIF1ACHEK2
SCHEMBL216400 0.79 LMNA (0.46) LMNAMAPK1HIF1ASMN1; SMN2NPSR1
SCHEMBL213924 0.79 ALDH1A1 (0.40) LMNACHEK2FLT3SMN1; SMN2PDGFRB
SCHEMBL215873 0.79 CHEK2 (0.53) LMNAMAPK1HIF1ACHEK2KDR

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 disclosed
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
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 ACHE 4856/4885LMNA 4821/4885MAPK1 354/4885

“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.