SCHEMBL21351234

SCHEMBL21351234

CCc1cc(-c2cc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.47
▸ BRAF P15056 3/20 0.47
▸ ABL1 P00519 10/20 0.47
▸ ABL2 P42684 6/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ FGFR4 P22455 3/20 0.45
▸ BCR P11274 1/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ CCNC P24863 1/20 0.44
▸ RET P07949 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ SRC P12931 2/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 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
SCHEMBL21330471 0.91 EGFR (0.51) EGFRBRAFABL1ABL2MAPK14
SCHEMBL20227770 0.91 EGFR (0.51) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21330477 0.91 ABL1 (0.51) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21330478 0.91 ABL1 (0.51) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21351228 0.90 ABL1 (0.42) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21298661 0.89 KDR (0.43) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21351229 0.87 EGFR (0.43) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21330454 0.85 EGFR (0.43) EGFRBRAFABL1ABL2MAPK14
SCHEMBL21330453 0.85 EGFR (0.43) EGFRBRAFABL1ABL2MAPK14
SCHEMBL20214713 0.83 ABL1 (0.59) EGFRBRAFABL1ABL2MAPK14

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 EGFR 2930/4885BRAF 1396/4885ABL1 1855/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 EGFR 2930/4885BRAF 1396/4885ABL1 1855/4885

“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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