SCHEMBL19316709

SCHEMBL19316709

CN1CCN(Cc2ccc(NC(=O)Nc3cc4cc(-c5cccnc5N)ccn4n3)cc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.55
▸ SRC P12931 5/20 0.55
▸ ABL2 P42684 6/20 0.55
▸ MAPK14 Q16539 3/20 0.54
▸ CDK1 P06493 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ FGFR4 P22455 4/20 0.51
▸ RET P07949 2/20 0.48
▸ KIF5B P33176 1/20 0.47
▸ CCDC6 Q16204 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
SCHEMBL19316710 0.85 ABL1 (0.65) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449268 0.85 ABL1 (0.59) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449102 0.82 ABL1 (0.58) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449142 0.81 ABL1 (0.55) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449242 0.81 ABL1 (0.56) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449290 0.80 ABL1 (0.61) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449263 0.79 ABL1 (0.60) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449241 0.79 ABL1 (0.60) ABL1SRCABL2MAPK14CDK1
SCHEMBL24449291 0.79 ABL1 (0.56) ABL1SRCABL2MAPK14CDK1
SCHEMBL24448289 0.79 ABL1 (0.59) ABL1SRCABL2MAPK14CDK1

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 3753/4885SRC 4035/4885ABL2 4577/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885SRC 4035/4885ABL2 4577/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885SRC 4369/4885ABL2 2755/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885SRC 3932/4885ABL2 4545/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885SRC 4035/4885ABL2 4577/4885

“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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