SCHEMBL212933

SCHEMBL212933

CN(C)Cc1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.38
POLB P06746 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
LMNA P02545 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NR4A1 P22736 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL214873 0.92 LMNA (0.39) PAX8POLBBCHEACHEATP4A
SCHEMBL215044 0.89 POLB (0.37) PAX8POLBBCHEACHEATP4A
SCHEMBL215728 0.88 POLB (0.35) PAX8POLBBCHEACHEATP4A
SCHEMBL214774 0.87 PAX8 (0.39) PAX8POLBLMNATDP1SMN1; SMN2
SCHEMBL214165 0.87 POLB (0.36) POLBBCHEACHEATP4AATP4B
SCHEMBL214715 0.85 POLB (0.40) PAX8POLBLMNACYP1A2CYP2D6
SCHEMBL214647 0.85 POLB (0.38) PAX8POLBLMNACYP1A2CYP2D6
SCHEMBL215369 0.84 POLB (0.41) PAX8POLBBCHEACHELMNA
SCHEMBL213796 0.83 KMT2A (0.41) POLBLMNACYP1A2CYP2D6CYP2C19
SCHEMBL214451 0.83 POLB (0.37) PAX8POLBATP4AATP4BLMNA

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 3 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-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 PAX8 4790/4885POLB 3464/4885BCHE 4844/4885

“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.