SCHEMBL214873

SCHEMBL214873

CCc1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.39
DDAH1 O94760 1/20 0.36
KDM4E B2RXH2 4/20 0.36
PAX8 Q06710 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NR4A1 P22736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.93 POLB (0.37) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL214165 0.92 POLB (0.36) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL212933 0.92 PAX8 (0.38) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL215728 0.90 POLB (0.35) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL214715 0.88 POLB (0.40) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL213796 0.88 KMT2A (0.41) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL215369 0.86 POLB (0.41) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL214647 0.86 POLB (0.38) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL214273 0.85 POLB (0.38) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL215596 0.85 POLB (0.38) LMNACYP1A2CYP2D6CYP2C19POLB

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 4 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

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 LMNA 4821/4885CYP1A2 1305/4885CYP2D6 2567/4885

“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.