SCHEMBL23732815

SCHEMBL23732815

CN1CCN(Cc2ccc(NCC(=O)Nc3cc(-c4ccc5ncncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.59
▸ SRC P12931 3/20 0.59
▸ MKNK1 Q9BUB5 7/20 0.51
▸ MKNK2 Q9HBH9 7/20 0.51
▸ BCR P11274 5/20 0.51
▸ RET P07949 2/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ KIT P10721 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ FGFR2 P21802 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ EIF4E P06730 1/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ ABL2 P42684 6/20 0.48
▸ MAPK14 Q16539 3/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ EGFR P00533 1/20 0.46
▸ BRAF P15056 1/20 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
SCHEMBL19307236 0.91 ABL1 (0.70) ABL1SRCRETKDRABL2
SCHEMBL29614757 0.91 ABL1 (0.70) ABL1SRCRETKDRABL2
SCHEMBL23732816 0.86 ABL1 (0.53) ABL1MKNK1MKNK2BCRRET
SCHEMBL23732817 0.84 ABL1 (0.47) ABL1SRCMKNK1MKNK2BCR
SCHEMBL29614760 0.80 ABL1 (0.60) ABL1SRCRETKITKDR
SCHEMBL19307227 0.80 ABL1 (0.60) ABL1SRCRETKITKDR
SCHEMBL29614711 0.79 ABL1 (0.63) ABL1SRCRETKDRABL2
SCHEMBL19307185 0.79 ABL1 (0.63) ABL1SRCRETKDRABL2
SCHEMBL20214661 0.78 ABL1 (0.46) ABL1SRCMKNK2BCRRET
SCHEMBL29614794 0.77 ABL1 (0.62) ABL1SRCRETKDRABL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — 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 (1 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-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885SRC 4035/4885MKNK1 529/4885

“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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