SCHEMBL21330477

SCHEMBL21330477

CCc1cc(-c2cc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(N[C@H]3CC[C@H](N)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.51
▸ ABL2 P42684 6/20 0.51
▸ EGFR P00533 3/20 0.50
▸ BRAF P15056 3/20 0.50
▸ MAPK14 Q16539 3/20 0.48
▸ FGFR4 P22455 2/20 0.48
▸ BCR P11274 2/20 0.47
▸ RET P07949 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ CDK8 P49336 2/20 0.45
▸ CCNC P24863 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ SRC P12931 2/20 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
SCHEMBL21330478 1.00 ABL1 (0.51) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330471 0.94 EGFR (0.51) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL20227770 0.94 EGFR (0.51) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21351234 0.91 EGFR (0.47) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330455 0.90 ABL1 (0.52) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330456 0.90 ABL1 (0.52) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330459 0.90 ABL1 (0.52) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330466 0.90 ABL1 (0.45) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21350949 0.90 ABL1 (0.45) ABL1ABL2EGFRBRAFMAPK14
SCHEMBL21330469 0.90 ABL1 (0.45) ABL1ABL2EGFRBRAFMAPK14

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 5 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 claimed
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
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

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 1855/4885ABL2 3914/4885EGFR 2930/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 ABL1 1855/4885ABL2 3914/4885EGFR 2930/4885

“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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