SCHEMBL19316718

SCHEMBL19316718

Cc1cc(NC(=O)Nc2cc(-c3ccc4ccnc(N)c4c3)n(C)n2)ccc1CN1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.45
▸ ABL2 P42684 6/20 0.45
▸ KDR P35968 3/20 0.44
▸ KIT P10721 2/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ MAPK14 Q16539 3/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ FGFR4 P22455 4/20 0.42
▸ SRC P12931 2/20 0.40
▸ TEK Q02763 1/20 0.40
▸ BCR P11274 2/20 0.39
▸ LYN P07948 1/20 0.39
▸ RET P07949 2/20 0.39

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 0.90 ABL1 (0.58) ABL1ABL2KDRMAPK14CDK1
SCHEMBL19317712 0.87 ABL1 (0.57) ABL1ABL2KDRMAPK14CDK1
SCHEMBL19316719 0.85 ABL1 (0.55) ABL1ABL2KDRKITFLT3
SCHEMBL19316716 0.81 ABL1 (0.57) ABL1ABL2KDRMAPK14CDK1
SCHEMBL19316696 0.80 ABL1 (0.43) ABL1ABL2KDRKITFLT3
SCHEMBL23732874 0.79 ABL1 (0.44) ABL1ABL2FLT3MAPK14CDK1
SCHEMBL29614774 0.78 ABL1 (0.60) ABL1ABL2KDRMAPK14CDK1
SCHEMBL19307183 0.78 ABL1 (0.60) ABL1ABL2KDRMAPK14CDK1
SCHEMBL19316722 0.77 ABL1 (0.58) ABL1ABL2KDRMAPK14CDK1
SCHEMBL29614720 0.77 MAPK14 (0.50) ABL1ABL2KDRKITFLT3

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 4577/4885KDR 4774/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885KDR 4774/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885ABL2 2755/4885KDR 4418/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885ABL2 4545/4885KDR 4666/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885KDR 4774/4885

“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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