SCHEMBL23732874

SCHEMBL23732874

CN1CCN(Cc2ccc(CC(=O)Nc3cc(-c4ccc5ccnc(N)c5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.44
▸ ABL2 P42684 6/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ MAPK14 Q16539 3/20 0.43
▸ MKNK2 Q9HBH9 3/20 0.43
▸ BCR P11274 2/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.43
▸ FGFR4 P22455 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ FGFR1 P11362 1/20 0.40

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
SCHEMBL19316707 0.88 ABL1 (0.58) ABL1ABL2CDK8CDK1CDK2
SCHEMBL29614814 0.86 ABL1 (0.49) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19307233 0.86 ABL1 (0.49) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19317712 0.85 ABL1 (0.57) ABL1ABL2CDK8CDK1CDK2
SCHEMBL20214661 0.84 ABL1 (0.46) ABL1ABL2CDK8CDK1CDK2
SCHEMBL20214778 0.83 ABL1 (0.52) ABL1ABL2CDK8MKNK2FGFR4
SCHEMBL20227782 0.81 ABL1 (0.47) ABL1ABL2CDK8MKNK2BCR
SCHEMBL20227767 0.80 ABL1 (0.46) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19316716 0.79 ABL1 (0.57) ABL1ABL2CDK8CDK1CDK2
SCHEMBL19316718 0.79 ABL1 (0.45) ABL1ABL2CDK8CDK1CDK2

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 4577/4885CDK8 2105/4885

“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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