SCHEMBL20214697

SCHEMBL20214697

Cn1nc(N)cc1-c1ccc2cc(NC(=O)O)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.52
▸ DYRK1A Q13627 7/20 0.47
▸ GSK3B P49841 6/20 0.47
▸ WNT1 P04628 3/20 0.47
▸ CLK2 P49760 2/20 0.46
▸ CLK3 P49761 2/20 0.46

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
SCHEMBL20227781 0.85 DYRK1A (0.58) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL19307114 0.75 ABL1 (0.48) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL29614806 0.75 ABL1 (0.48) ABL1DYRK1AGSK3BWNT1CLK2
Cyclopropane SCHEMBL18887392 0.72 ABL1 (0.74) ABL1
SCHEMBL19515904 0.70 GSK3B (0.78) ABL1DYRK1AGSK3BWNT1CLK2
Cyclopropane SCHEMBL18887390 0.69 ABL1 (0.73) ABL1
SCHEMBL9941991 0.69 ABL1 (0.84) ABL1
SCHEMBL20214459 0.69 ABL1 (0.69) ABL1
SCHEMBL29614732 0.68 PIK3CG (0.44) ABL1
SCHEMBL19307151 0.68 PIK3CG (0.44) ABL1

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 1855/4885DYRK1A 3563/4885GSK3B 2511/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885DYRK1A 3563/4885GSK3B 2511/4885

“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