SCHEMBL214398

SCHEMBL214398

NC(=O)c1[nH]cnc1C(=O)N(c1ccc(ON2CCCCC2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PDE10A Q9Y233 3/20 0.35
LTA4H P09960 4/20 0.33
ACHE P22303 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BCHE P06276 1/20 0.32
DRD3 P35462 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HPGD P15428 1/20 0.32
CHEK2 O96017 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL216562 0.85 POLB (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL216070 0.81 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL213717 0.81 POLB (0.45) POLBPDE10ACYP3A4ALDH1A1CYP1A2
SCHEMBL213376 0.80 POLB (0.43) POLBDRD3CHEK2
Hydrochloric Acid SCHEMBL216265 0.80 POLB (0.44) POLBPDE10ACYP3A4ALDH1A1CYP1A2
SCHEMBL216365 0.77 POLB (0.50) POLBPDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL215785 0.75 POLB (0.41) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL215133 0.75 POLB (0.38) POLBNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL214647 0.75 POLB (0.38) POLBNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL214715 0.75 POLB (0.40) POLBNPC1RAB9ASMN1; SMN2CYP3A4

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 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 3464/4885PDE10A 1576/4885LTA4H 2740/4885

“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.