SCHEMBL19316708

SCHEMBL19316708

CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4cnc5nc(N)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.60
▸ ABL2 P42684 6/20 0.60
▸ CDK1 P06493 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ FGFR4 P22455 5/20 0.55
▸ MAPK14 Q16539 3/20 0.54
▸ EGFR P00533 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ SRC P12931 3/20 0.51
▸ RET P07949 2/20 0.51
▸ KDR P35968 1/20 0.51
▸ KIT P10721 1/20 0.50

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
SCHEMBL29614760 0.90 ABL1 (0.60) ABL1ABL2CDK1CDK2CDK8
SCHEMBL19307227 0.90 ABL1 (0.60) ABL1ABL2CDK1CDK2CDK8
SCHEMBL20214713 0.89 ABL1 (0.59) ABL1ABL2CDK1CDK2CDK8
SCHEMBL20214729 0.89 ABL1 (0.59) ABL1ABL2CDK1CDK2CDK8
SCHEMBL24448260 0.86 ABL1 (0.73) ABL1ABL2CDK1CDK2CDK8
SCHEMBL29614931 0.86 ABL1 (0.65) ABL1ABL2CDK1CDK2CDK8
SCHEMBL19307164 0.86 ABL1 (0.65) ABL1ABL2CDK1CDK2CDK8
SCHEMBL29614794 0.86 ABL1 (0.62) ABL1ABL2FGFR4MAPK14SRC
SCHEMBL19307181 0.86 ABL1 (0.62) ABL1ABL2FGFR4MAPK14SRC
SCHEMBL19316705 0.85 ABL1 (0.71) ABL1ABL2CDK1CDK2CDK8

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 ABL1 3753/4885ABL2 4577/4885CDK1 2504/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885CDK1 2504/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885ABL2 2755/4885CDK1 3629/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885ABL2 4545/4885CDK1 2364/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885CDK1 2504/4885

“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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