SCHEMBL20214661

SCHEMBL20214661

CN1CCN(Cc2ccc(CC(=O)Nc3cc(-c4ccc5nc(N)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.46
▸ ABL2 P42684 6/20 0.46
▸ CDK8 P49336 2/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ RET P07949 1/20 0.43
▸ KIT P10721 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAPK14 Q16539 3/20 0.41
▸ BCR P11274 1/20 0.41

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 0.89 ABL1 (0.49) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19307233 0.89 ABL1 (0.49) ABL1ABL2CDK8CDK1CDK2
SCHEMBL20227767 0.89 ABL1 (0.46) ABL1ABL2CDK8CDK1CDK2
SCHEMBL29614760 0.88 ABL1 (0.60) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19307227 0.88 ABL1 (0.60) ABL1ABL2CDK8CDK1CDK2
SCHEMBL20214778 0.86 ABL1 (0.52) ABL1ABL2CDK8FGFR4MKNK2
SCHEMBL20214708 0.86 ABL1 (0.45) ABL1ABL2CDK8EGFRBRAF
SCHEMBL29614838 0.86 CDK8 (0.51) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19307087 0.86 CDK8 (0.51) ABL1ABL2CDK8CDK1CDK2
SCHEMBL23732874 0.84 ABL1 (0.44) ABL1ABL2CDK8CDK1CDK2

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 7 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 claimed
US-10934275-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-02 — — US disclosed
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
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 1855/4885ABL2 3914/4885CDK8 1861/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885ABL2 3914/4885CDK8 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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