SCHEMBL20214778

SCHEMBL20214778

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.52
▸ FGFR4 P22455 4/20 0.46
▸ DYRK1A Q13627 10/20 0.46
▸ GSK3B P49841 8/20 0.45
▸ WNT1 P04628 4/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ ABL2 P42684 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43

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
SCHEMBL29614814 0.91 ABL1 (0.49) ABL1FGFR4DYRK1AMKNK2CDK8
SCHEMBL19307233 0.91 ABL1 (0.49) ABL1FGFR4DYRK1AMKNK2CDK8
SCHEMBL20227782 0.91 ABL1 (0.47) ABL1FGFR4DYRK1AGSK3BWNT1
SCHEMBL20214661 0.86 ABL1 (0.46) ABL1FGFR4MKNK2CDK8ABL2
SCHEMBL21350972 0.85 ABL1 (0.42) ABL1FGFR4DYRK1AMKNK2CDK8
SCHEMBL20227767 0.84 ABL1 (0.46) ABL1FGFR4MKNK2CDK8ABL2
SCHEMBL23732874 0.83 ABL1 (0.44) ABL1FGFR4MKNK2CDK8ABL2
SCHEMBL20227766 0.83 ABL1 (0.46) ABL1FGFR4MKNK2CDK8ABL2
SCHEMBL20214708 0.81 ABL1 (0.45) ABL1FGFR4MKNK2CDK8ABL2
SCHEMBL23732816 0.80 ABL1 (0.53) ABL1FGFR4MKNK2CDK8ABL2

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 4 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
EP-3548476-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2019-10-09 — — EP disclosed
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 — — US disclosed
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 — — 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 (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 1855/4885FGFR4 3830/4885DYRK1A 3563/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885FGFR4 3830/4885DYRK1A 3563/4885

“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.

Send feedback