SCHEMBL19316724

SCHEMBL19316724

CN1CCN(Cc2ccc(NC(=O)Nc3nn(C)c4cc(-c5ccc6c(N)nccc6c5)ccc34)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ SRC P12931 5/20 0.52
▸ ABL1 P00519 10/20 0.52
▸ RET P07949 2/20 0.52
▸ FGFR4 P22455 4/20 0.51
▸ ABL2 P42684 5/20 0.51
▸ MAPK14 Q16539 2/20 0.49
▸ KDR P35968 1/20 0.48

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
SCHEMBL24449142 0.89 ABL1 (0.55) CDK8CDK1CDK2SRCABL1
SCHEMBL29614832 0.88 FGFR4 (0.57) CDK8CDK1CDK2SRCABL1
SCHEMBL19307128 0.88 FGFR4 (0.57) CDK8CDK1CDK2SRCABL1
SCHEMBL19316716 0.86 ABL1 (0.57) CDK8CDK1CDK2SRCABL1
SCHEMBL29614822 0.86 ABL1 (0.58) CDK8CDK1CDK2SRCABL1
SCHEMBL19307146 0.86 ABL1 (0.58) CDK8CDK1CDK2SRCABL1
SCHEMBL29614795 0.85 CSF1R (0.61) SRCABL1RETFGFR4ABL2
SCHEMBL19307123 0.85 CSF1R (0.61) SRCABL1RETFGFR4ABL2
SCHEMBL19316722 0.83 ABL1 (0.58) CDK8CDK1CDK2SRCABL1
SCHEMBL19322516 0.82 SRC (0.58) CDK8CDK1CDK2SRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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 (5 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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 CDK8 2105/4885CDK1 2504/4885CDK2 2792/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 CDK8 2105/4885CDK1 2504/4885CDK2 2792/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 CDK8 3702/4885CDK1 3629/4885CDK2 3011/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 CDK8 1892/4885CDK1 2364/4885CDK2 2728/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 CDK8 2105/4885CDK1 2504/4885CDK2 2792/4885

“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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