SCHEMBL23732816

SCHEMBL23732816

CN1CCN(Cc2ccc(NCC(=O)Nc3cc(-c4ccc5cc(N)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.53
▸ ABL2 P42684 6/20 0.53
▸ MKNK1 Q9BUB5 7/20 0.52
▸ MKNK2 Q9HBH9 7/20 0.52
▸ BCR P11274 5/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ KIT P10721 3/20 0.51
▸ RET P07949 2/20 0.51
▸ PDGFRB P09619 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
▸ NTRK1 P04629 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47

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
SCHEMBL19307164 0.91 ABL1 (0.65) ABL1ABL2RETKDRNTRK1
SCHEMBL29614931 0.91 ABL1 (0.65) ABL1ABL2RETKDRNTRK1
SCHEMBL19307233 0.89 ABL1 (0.49) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL29614814 0.89 ABL1 (0.49) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL23732815 0.86 ABL1 (0.59) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL19307131 0.86 ABL1 (0.51) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL29614800 0.86 ABL1 (0.51) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL23732817 0.84 ABL1 (0.47) ABL1ABL2MKNK1MKNK2BCR
SCHEMBL24448260 0.81 ABL1 (0.73) ABL1ABL2KITRETKDR
SCHEMBL19316719 0.80 ABL1 (0.55) ABL1ABL2KITKDRFLT3

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 3753/4885ABL2 4577/4885MKNK1 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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