SCHEMBL24435934

SCHEMBL24435934

Nc1ccc(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.51
MAPK10 P53779 9/20 0.51
RET P07949 3/20 0.51
CCNB2 O95067 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
GSK3B P49841 2/20 0.51
CDC7 O00311 1/20 0.51
CHEK1 O14757 1/20 0.51
DCLK1 O15075 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
NTRK1 P04629 1/20 0.51

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
SCHEMBL29633651 1.00 ERN1 (0.51) ERN1MAPK10RETCCNB2CDK1
SCHEMBL29049062 0.89 ERN1 (0.47) ERN1MAPK10AURKB
SCHEMBL29633613 0.84 TEK (0.42) ERN1MAPK10MAPK8MAPK9AURKB
SCHEMBL24435876 0.84 TEK (0.42) ERN1MAPK10MAPK8MAPK9AURKB
SCHEMBL24439288 0.83 ERN1 (0.47) ERN1MAPK10RETCCNB2CDK1
SCHEMBL24435785 0.81 ERN1 (0.52) ERN1MAPK10
SCHEMBL29633607 0.81 ERN1 (0.52) ERN1MAPK10
SCHEMBL24435821 0.81 ERN1 (0.52) ERN1MAPK10
SCHEMBL28557737 0.81 ERN1 (0.43) ERN1MAPK10CCNB2CDK1CCNB1
SCHEMBL24435930 0.80 ERN1 (0.54) ERN1MAPK10

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-20220153723-A1 IRE1ALPHA INHIBITORS AND USES THEREOF UNIVERSITY OF WASHINGTON 2022-05-19 US disclosed
WO-2022104151-A1 IRE1ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-19 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-20220153723-A1 IRE1ALPHA INHIBITORS AND USES THEREOF XBP1, ERN2, ERN1 ERN1 3/4885MAPK10 1017/4885RET 3620/4885

“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.