SCHEMBL216394

SCHEMBL216394

Cc1ccc(Br)c(-n2cnc(C(N)=O)c2C(=O)Nc2nc3ccc(OCCN4CCCCC4)cc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
CHEK2 O96017 2/20 0.45
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
KDR P35968 1/20 0.40
FLT3 P36888 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ROCK2 O75116 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PARP1 P09874 1/20 0.37
DHODH Q02127 1/20 0.37
NTRK1 P04629 1/20 0.37
PDGFRB P09619 2/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL215365 0.88 CHEK2 (0.44) ACHECHEK2LMNAMAPK1HIF1A
SCHEMBL215870 0.84 CHEK2 (0.45) ACHECHEK2LMNAMAPK1HIF1A
SCHEMBL214859 0.83 CHEK2 (0.47) ACHECHEK2LMNAMAPK1HIF1A
SCHEMBL215459 0.82 CHEK2 (0.46) ACHECHEK2LMNAMAPK1HIF1A
SCHEMBL216399 0.81 LMNA (0.45) CHEK2LMNAMAPK1HIF1ASMN1; SMN2
SCHEMBL213923 0.80 CHEK2 (0.41) CHEK2FLT3MEN1KMT2APARP1
SCHEMBL216098 0.78 KCNA5 (0.37) CHEK2LMNAMAPK1HIF1AFLT3
SCHEMBL213710 0.78 ITGB3 (0.37) CHEK2LMNAMAPK1HIF1AFLT3
Hydrochloric Acid SCHEMBL213384 0.77 ITGB3 (0.38) CHEK2LMNAMAPK1HIF1AFLT3
SCHEMBL216395 0.77 ACHE (0.47) ACHECHEK2LMNAMAPK1HIF1A

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 4 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-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 4856/4885CHEK2 412/4885LMNA 4821/4885

“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.