SCHEMBL21676832

SCHEMBL21676832

COc1ccc2nc(-c3ccc4ccccc4n3)n(-c3ccnc(S(C)(=O)=O)n3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.47
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PDE10A Q9Y233 8/20 0.39
CYP1A2 P05177 5/20 0.39
AKT1 P31749 1/20 0.39
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
CASP1 P29466 1/20 0.38
CTSD P07339 1/20 0.37

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
SCHEMBL21676831 0.93 MAPK10 (0.47) MAPK10NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21642754 0.87 MAPK10 (0.61) MAPK10
SCHEMBL21642881 0.83 MAPK10 (0.48) MAPK10NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21642756 0.83 MAPK10 (0.45) MAPK10NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21642813 0.79 MAPK10 (0.61) MAPK10
SCHEMBL21642785 0.78 MAPK10 (0.47) MAPK10NPC1RAB9APDE10A
SCHEMBL20633937 0.77 MAPK10 (0.79) MAPK10
SCHEMBL20633865 0.76 MAPK10 (0.47) MAPK10NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21642801 0.75 MAPK10 (0.48) MAPK10PDE10ACYP1A2
SCHEMBL21676897 0.75 MAPK10 (0.48) MAPK10NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781201-B2 Benzimidazole derivative having JNK inhibitory activity and use thereof INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2020-09-22 US disclosed
US-20200039959-A1 NOVEL BENZIMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2020-02-06 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 (2 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-20200039959-A1 NOVEL BENZIMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF MAPKAPK3, MAPK3, MAP3K3 MAPK10 50/4885NPC1 1422/4885RAB9A 2443/4885
US-10781201-B2 Benzimidazole derivative having JNK inhibitory activity and use thereof MAPKAPK3, MAPK3, MAP3K3 MAPK10 50/4885NPC1 1373/4885RAB9A 2734/4885

“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.