SCHEMBL29580100

SCHEMBL29580100

Clc1nc(-n2ncc3ccccc32)c2nc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
RECQL P46063 1/20 0.33
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33
LRRK2 Q5S007 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32

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
SCHEMBL22412415 1.00 PDE10A (0.36) PDE10AMAPK8MAPK9MAPK10MGAM
SCHEMBL4127174 0.77 BIRC5 (0.41) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL19100791 0.76 RPS6KA5 (0.48) PDE10AMAPK8MAPK9MAPK10MGAM
SCHEMBL4129921 0.74 SLC6A2 (0.34)
SCHEMBL4110930 0.74 MKNK2 (0.45) MKNK1MKNK2
SCHEMBL24421803 0.71 KDM4E (0.36) GAAALDH1A1
SCHEMBL17364326 0.70 AURKA (0.33) MAPK8MAPK9MKNK2LRRK2CDK1
SCHEMBL17856868 0.70 KDM4A (0.47) GAAALDH1A1
SCHEMBL14183782 0.69 MAPT (0.52) GAARECQLALDH1A1
SCHEMBL422208 0.69 MKNK1 (0.42) PDE10AMAPK8MAPK9MAPK10MGAM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 PDE10A 1555/4885MAPK8 2048/4885MAPK9 991/4885

“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.