SCHEMBL21350972

SCHEMBL21350972

CN1CCN(Cc2ccc(CC(=O)Nc3cc(-c4ccc5cc(N(C)C(=O)OC(C)(C)C)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.42
▸ MKNK2 Q9HBH9 4/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ ABL2 P42684 6/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.39
▸ BCR P11274 2/20 0.39
▸ SRC P12931 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MAPK14 Q16539 3/20 0.38

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
SCHEMBL20227782 0.89 ABL1 (0.47) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL19307233 0.85 ABL1 (0.49) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL29614814 0.85 ABL1 (0.49) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL20214778 0.85 ABL1 (0.52) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL20214661 0.81 ABL1 (0.46) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL23732874 0.78 ABL1 (0.44) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL20227767 0.77 ABL1 (0.46) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL20227766 0.76 ABL1 (0.46) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL20214708 0.76 ABL1 (0.45) ABL1MKNK2CDK8ABL2FGFR4
SCHEMBL21351228 0.76 ABL1 (0.42) ABL1MKNK2CDK8ABL2FGFR4

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-10934275-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-02 — — US disclosed
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 — — 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 (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-10934275-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885MKNK2 631/4885CDK8 1861/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885MKNK2 631/4885CDK8 1861/4885

“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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