SCHEMBL213330

SCHEMBL213330

CS(=O)(=O)c1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
DRD4 P21917 1/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PAX8 Q06710 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
PLAUR Q03405 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL214715 0.86 POLB (0.40) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL214273 0.86 POLB (0.38) POLBNPC1RAB9AHPGDHTT
SCHEMBL213504 0.86 POLB (0.38) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL215369 0.85 POLB (0.41) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL214873 0.85 LMNA (0.39) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL214647 0.84 POLB (0.38) POLBNPC1RAB9AHPGDHTT
SCHEMBL215596 0.84 POLB (0.38) POLBNPC1RAB9AHPGDHTT
SCHEMBL216075 0.84 POLB (0.38) POLBKMT2AHPGDHTTLMNA
SCHEMBL215645 0.83 POLB (0.37) POLBKMT2ARAB9AHPGDHTT
SCHEMBL214790 0.83 HPGD (0.37) POLBKMT2ANPC1RAB9AHPGD

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 POLB 3464/4885KMT2A 437/4885NPC1 3307/4885

“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.