SCHEMBL215770

SCHEMBL215770

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
JAK1 P23458 1/20 0.37
CHEK2 O96017 2/20 0.37
SYK P43405 2/20 0.37
LRRK2 Q5S007 2/20 0.37
TSSK3 Q96PN8 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PARP1 P09874 2/20 0.35
CHEK1 O14757 4/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 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 0.91 MEN1 (0.43) USP30CHEK2SYKLRRK2TSSK3
SCHEMBL213808 0.82 CHEK2 (0.38) USP30CHEK2SYKLRRK2TSSK3
SCHEMBL213717 0.81 POLB (0.45) JAK1CHEK2SYKLRRK2TSSK3
Hydrochloric Acid SCHEMBL216265 0.80 POLB (0.44) JAK1CHEK2SYKLRRK2TSSK3
SCHEMBL213907 0.78 NPC1 (0.41) CHEK2SYKLRRK2TSSK3MEN1
SCHEMBL215755 0.76 CHEK2 (0.39) JAK1CHEK2SYKLRRK2TSSK3
Hydrochloric Acid SCHEMBL213649 0.76 CHEK2 (0.38) JAK1CHEK2SYKLRRK2TSSK3
SCHEMBL216070 0.75 POLB (0.47) HPGDHTTMEN1KMT2ACYP3A4
SCHEMBL213971 0.75 PAX8 (0.43) HPGDHTTKMT2ACYP3A4SMN1; SMN2
SCHEMBL215133 0.74 POLB (0.38) PARP1HPGDHTTFGFR1FLT1

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
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 USP30 1282/4885JAK1 2/4885CHEK2 412/4885

“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.