SCHEMBL216097

SCHEMBL216097

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)c1ccccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MTOR P42345 1/20 0.35
MAP2 P11137 1/20 0.35
SCN9A Q15858 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KHK P50053 1/20 0.32
PAX8 Q06710 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MGLL Q99685 1/20 0.31
LMNA P02545 2/20 0.31
ABL1 P00519 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL213796 0.86 KMT2A (0.41) POLBCYP2D6HPGDHTTKDM4E
SCHEMBL216886 0.86 POLB (0.36) POLBMTORCYP3A4CYP2D6HPGD
SCHEMBL214647 0.83 POLB (0.38) POLBCYP3A4CYP2D6CYP2C9HPGD
SCHEMBL214715 0.83 POLB (0.40) POLBCYP3A4CYP2D6HPGDHTT
SCHEMBL214273 0.82 POLB (0.38) POLBCYP3A4CYP2D6CYP2C9HPGD
SCHEMBL215645 0.82 POLB (0.37) POLBCYP3A4CYP2D6HPGDHTT
SCHEMBL215369 0.81 POLB (0.41) POLBCYP3A4CYP2D6HPGDHTT
SCHEMBL214790 0.81 HPGD (0.37) POLBMAP2CYP3A4HPGDHTT
SCHEMBL214873 0.81 LMNA (0.39) POLBCYP3A4CYP2D6HPGDHTT
SCHEMBL214785 0.80 POLB (0.36) POLBCYP3A4CYP2D6HPGDHTT

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 3464/4885MTOR 208/4885MAP2 730/4885

“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.