SCHEMBL213808

SCHEMBL213808

CC1CCCCC1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.38
SYK P43405 2/20 0.38
LRRK2 Q5S007 2/20 0.38
TSSK3 Q96PN8 2/20 0.38
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
PDE10A Q9Y233 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL215116 0.87 MEN1 (0.43) CHEK2SYKLRRK2TSSK3USP30
SCHEMBL215770 0.82 USP30 (0.38) CHEK2SYKLRRK2TSSK3USP30
SCHEMBL213907 0.79 NPC1 (0.41) CHEK2SYKLRRK2TSSK3MEN1
SCHEMBL216070 0.75 POLB (0.47) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL214715 0.74 POLB (0.40) KMT2ASMN1; SMN2RAB9ANPC1POLB
SCHEMBL214774 0.74 PAX8 (0.39) CHEK2SYKLRRK2TSSK3MEN1
SCHEMBL213708 0.73 HPGD (0.40) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL213971 0.73 PAX8 (0.43) KMT2ASMN1; SMN2RAB9ANPC1TDP1
SCHEMBL215369 0.72 POLB (0.41) KMT2ASMN1; SMN2RAB9ANPC1POLB
SCHEMBL215785 0.72 POLB (0.41) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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 6 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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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

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 CHEK2 412/4885SYK 52/4885LRRK2 644/4885

“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.