SCHEMBL19307233

SCHEMBL19307233

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.49
▸ ABL2 P42684 6/20 0.49
▸ MKNK2 Q9HBH9 3/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ FGFR4 P22455 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ DYRK1A Q13627 1/20 0.42
▸ MAPK14 Q16539 3/20 0.42
▸ KIT P10721 1/20 0.42
▸ BCR P11274 2/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42

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 1.00 ABL1 (0.49) ABL1ABL2MKNK2CDK8NTRK1
SCHEMBL20214778 0.91 ABL1 (0.52) ABL1ABL2MKNK2CDK8FGFR4
SCHEMBL20214661 0.89 ABL1 (0.46) ABL1ABL2MKNK2CDK8FGFR4
SCHEMBL23732816 0.89 ABL1 (0.53) ABL1ABL2MKNK2CDK8NTRK1
SCHEMBL20227782 0.88 ABL1 (0.47) ABL1ABL2MKNK2CDK8FGFR4
SCHEMBL29614931 0.88 ABL1 (0.65) ABL1ABL2CDK8NTRK1NTRK3
SCHEMBL19307164 0.88 ABL1 (0.65) ABL1ABL2CDK8NTRK1NTRK3
SCHEMBL23732874 0.86 ABL1 (0.44) ABL1ABL2MKNK2CDK8FGFR4
SCHEMBL29614800 0.85 ABL1 (0.51) ABL1ABL2MKNK2CDK8NTRK1
SCHEMBL19307131 0.85 ABL1 (0.51) ABL1ABL2MKNK2CDK8NTRK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
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
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 — — 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
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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 (8 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 3914/4885MKNK2 631/4885
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MKNK2 678/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885ABL2 4545/4885MKNK2 638/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MKNK2 678/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885ABL2 2755/4885MKNK2 3436/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885ABL2 3914/4885MKNK2 631/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885ABL2 4545/4885MKNK2 638/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MKNK2 678/4885

“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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