SCHEMBL24435875

SCHEMBL24435875

CC(C)(C)OC(=O)NC1CCC(Nc2nccc(-c3cccnc3F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.45
▸ CCNB2 O95067 5/20 0.44
▸ CDK1 P06493 5/20 0.44
▸ CCNB1 P14635 5/20 0.44
▸ CCNB3 Q8WWL7 5/20 0.44
▸ MAPK8 P45983 4/20 0.44
▸ MAPK9 P45984 3/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ GSK3B P49841 4/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDC7 O00311 3/20 0.42
▸ MAP4K4 O95819 3/20 0.42
▸ PIM1 P11309 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ FLT3 P36888 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ HIPK2 Q9H2X6 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ INSR P06213 2/20 0.42

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
SCHEMBL29633620 1.00 RET (0.45) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL29049063 1.00 RET (0.45) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL21811780 0.84 RET (0.50) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL21909261 0.83 ERN1 (0.46) RETMAPK8MAPK9MAPK10
SCHEMBL28554822 0.83 ERN1 (0.46) RETMAPK8MAPK9MAPK10
SCHEMBL25071801 0.83 ERN1 (0.46) RETMAPK8MAPK9MAPK10
SCHEMBL31145241 0.82 MAPK10 (0.45) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL24435876 0.82 TEK (0.42) MAPK8MAPK9MAPK10AURKB
SCHEMBL29633613 0.82 TEK (0.42) MAPK8MAPK9MAPK10AURKB
SCHEMBL16091554 0.81 KDM1A (0.50) JAK3JAK2TYK2MAPK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583276-A IRE1 alpha inhibitors and uses thereof 加利福尼亚大学董事会 2023-08-11 — — CN disclosed
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 RET 3620/4885CCNB2 4632/4885CDK1 3822/4885

“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.

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