SCHEMBL20214459

SCHEMBL20214459

O=C(O)Nc1cc2ccc(Br)cc2cn1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.69
▸ MTOR P42345 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GSK3A P49840 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ TAOK1 Q7L7X3 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ SORT1 Q99523 1/20 0.44

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
Cyclopropane SCHEMBL18887416 0.95 ABL1 (0.68) ABL1
SCHEMBL4302554 0.94 ABL1 (0.61) ABL1MTORMEN1NPC1RAB9A
SCHEMBL9938850 0.82 ABL1 (1.00) ABL1
SCHEMBL2841751 0.80 NOTUM (0.57) ABL1MTOR
SCHEMBL20227778 0.79 ABL1 (0.59) ABL1MTORMEN1NPC1RAB9A
SCHEMBL9939555 0.78 ABL1 (0.72) ABL1
SCHEMBL14245217 0.78 ABL1 (0.72) ABL1
SCHEMBL21635149 0.77 ABL1 (0.42) ABL1MTOR
SCHEMBL2671319 0.76 ABL1 (0.55) ABL1MEN1NPC1RAB9AKMT2A
SCHEMBL20946112 0.76 ABL1 (0.89) 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 1855/4885MTOR 1456/4885MEN1 3601/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885MTOR 1456/4885MEN1 3601/4885

“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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