SCHEMBL20214701

SCHEMBL20214701

CN1CCN(Cc2ccc(NC(=O)Nc3cc(Br)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.65
▸ ABL2 P42684 6/20 0.65
▸ SRC P12931 6/20 0.63
▸ MAPK14 Q16539 3/20 0.62
▸ FGFR4 P22455 3/20 0.58
▸ CDK1 P06493 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ CDK8 P49336 1/20 0.56
▸ KIT P10721 2/20 0.54
▸ RET P07949 1/20 0.54

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
SCHEMBL20214563 0.87 ABL1 (0.52) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL19317707 0.85 ABL1 (0.64) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL20214632 0.85 ABL1 (0.48) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL19317714 0.85 SRC (0.65) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL27088041 0.84 FGFR4 (0.69) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL29998987 0.84 FGFR4 (0.69) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL20214736 0.84 ABL1 (0.51) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL20227789 0.83 ABL1 (0.49) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL20214638 0.83 ABL1 (0.46) ABL1ABL2SRCMAPK14FGFR4
SCHEMBL19317683 0.82 ABL1 (0.83) ABL1ABL2SRCMAPK14FGFR4

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 5 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
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 3914/4885SRC 2844/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885ABL2 3914/4885SRC 2844/4885

“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