SCHEMBL20214708

SCHEMBL20214708

CN1CCN(Cc2ccc(CC(=O)Nc3cc(-c4ccc5nc(NC6CCNCC6)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.45
▸ EGFR P00533 3/20 0.44
▸ BRAF P15056 3/20 0.44
▸ KDR P35968 2/20 0.42
▸ LCK P06239 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ CDK8 P49336 1/20 0.41
▸ BCR P11274 5/20 0.41
▸ FGFR4 P22455 2/20 0.40
▸ MKNK2 Q9HBH9 5/20 0.40
▸ MKNK1 Q9BUB5 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ SRC P12931 1/20 0.39

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
SCHEMBL20214702 0.89 FGFR4 (0.51) ABL1EGFRBRAFKDRMAPK14
SCHEMBL20214681 0.88 MAPK14 (0.44) ABL1EGFRBRAFKDRLCK
SCHEMBL20214661 0.86 ABL1 (0.46) ABL1EGFRBRAFMAPK14CDK8
SCHEMBL20214756 0.85 ABL1 (0.50) ABL1EGFRBRAFKDRMAPK14
SCHEMBL20214668 0.85 ABL1 (0.50) ABL1EGFRBRAFKDRMAPK14
SCHEMBL20214669 0.85 ABL1 (0.50) ABL1EGFRBRAFKDRMAPK14
SCHEMBL20214710 0.83 EGFR (0.55) ABL1EGFRBRAFKDRMAPK14
SCHEMBL21330469 0.83 ABL1 (0.45) ABL1EGFRBRAFKDRMAPK14
SCHEMBL21330466 0.83 ABL1 (0.45) ABL1EGFRBRAFKDRMAPK14
SCHEMBL21350949 0.83 ABL1 (0.45) ABL1EGFRBRAFKDRMAPK14

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 1855/4885EGFR 2930/4885BRAF 1396/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885EGFR 2930/4885BRAF 1396/4885

“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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