SCHEMBL21330474

SCHEMBL21330474

CCc1cc(-c2cc(NC(=O)Cc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(OC(N)=O)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.44
▸ EGFR P00533 3/20 0.42
▸ BRAF P15056 3/20 0.42
▸ MKNK2 Q9HBH9 6/20 0.39
▸ BCR P11274 6/20 0.39
▸ ABL2 P42684 3/20 0.38
▸ MKNK1 Q9BUB5 5/20 0.37
▸ RET P07949 2/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ PDGFRA P16234 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ EIF4E P06730 1/20 0.37
▸ FGFR4 P22455 2/20 0.36

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
SCHEMBL21330475 1.00 ABL1 (0.44) ABL1EGFRBRAFMKNK2BCR
SCHEMBL21330466 0.92 ABL1 (0.45) ABL1EGFRBRAFMKNK2BCR
SCHEMBL21330469 0.92 ABL1 (0.45) ABL1EGFRBRAFMKNK2BCR
SCHEMBL21350949 0.92 ABL1 (0.45) ABL1EGFRBRAFMKNK2BCR
SCHEMBL21351228 0.89 ABL1 (0.42) ABL1EGFRBRAFMKNK2BCR
SCHEMBL20227766 0.87 ABL1 (0.46) ABL1EGFRBRAFMKNK2BCR
SCHEMBL20227767 0.85 ABL1 (0.46) ABL1EGFRBRAFMKNK2BCR
SCHEMBL21298643 0.83 RORC (0.37) BRAFKITKDRFLT3
SCHEMBL20576577 0.83 RORC (0.37) BRAFKITKDRFLT3
SCHEMBL20576579 0.83 RORC (0.37) BRAFKITKDRFLT3

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 2 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
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 — — 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 (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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