SCHEMBL215728

SCHEMBL215728

NCCc1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
PAX8 Q06710 1/20 0.32
CYP3A4 P08684 2/20 0.32
SYK P43405 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CHRM1 P11229 1/20 0.32
NPC1 O15118 1/20 0.32
NR4A1 P22736 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL215044 0.92 POLB (0.37) POLBKDM4EHPGDHTTLMNA
SCHEMBL214873 0.90 LMNA (0.39) POLBKDM4EHPGDHTTLMNA
SCHEMBL214165 0.90 POLB (0.36) POLBKDM4ELMNACYP1A2CYP2D6
SCHEMBL212933 0.88 PAX8 (0.38) POLBKDM4EHPGDHTTLMNA
SCHEMBL214647 0.84 POLB (0.38) POLBKDM4EHPGDHTTLMNA
SCHEMBL214715 0.84 POLB (0.40) POLBKDM4EHPGDHTTLMNA
SCHEMBL215645 0.83 POLB (0.37) POLBKDM4EHPGDHTTLMNA
SCHEMBL215369 0.83 POLB (0.41) POLBKDM4EHPGDHTTLMNA
SCHEMBL214790 0.83 HPGD (0.37) POLBKDM4EHPGDHTTPAX8
SCHEMBL213796 0.82 KMT2A (0.41) POLBKDM4EHPGDHTTLMNA

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 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
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 3464/4885KDM4E 952/4885HPGD 3138/4885

“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.