SCHEMBL19316725

SCHEMBL19316725

CN1CCN(Cc2ccc(NC(=O)Nc3nn(C)c4cc(-c5cnc6cnccn56)ccc34)cc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.64
▸ ABL2 P42684 6/20 0.64
▸ MAPK14 Q16539 4/20 0.64
▸ SRC P12931 4/20 0.51
▸ FGFR4 P22455 2/20 0.50
▸ KIT P10721 2/20 0.48
▸ BCR P11274 2/20 0.48
▸ DDR1 Q08345 2/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ NTRK3 Q16288 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ DDR2 Q16832 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ RET P07949 2/20 0.48
▸ 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
SCHEMBL19307123 0.85 CSF1R (0.61) ABL1ABL2SRCFGFR4KIT
SCHEMBL29614795 0.85 CSF1R (0.61) ABL1ABL2SRCFGFR4KIT
SCHEMBL19317713 0.84 ABL1 (0.78) ABL1ABL2MAPK14SRCFGFR4
SCHEMBL29614832 0.83 FGFR4 (0.57) ABL1ABL2SRCFGFR4KIT
SCHEMBL19307128 0.83 FGFR4 (0.57) ABL1ABL2SRCFGFR4KIT
SCHEMBL29614822 0.82 ABL1 (0.58) ABL1ABL2MAPK14SRCFGFR4
SCHEMBL19307146 0.82 ABL1 (0.58) ABL1ABL2MAPK14SRCFGFR4
SCHEMBL9611022 0.82 ABL1 (0.68) ABL1ABL2MAPK14KITBCR
SCHEMBL19316724 0.82 CDK8 (0.56) ABL1ABL2MAPK14SRCFGFR4
SCHEMBL19322516 0.82 SRC (0.58) ABL1ABL2MAPK14SRCFGFR4

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 8 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-20170252350-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170252350-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 (6 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-20170252350-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3732/4885ABL2 4526/4885MAPK14 1337/4885
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MAPK14 1309/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MAPK14 1309/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885ABL2 2755/4885MAPK14 4190/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 ABL1 3590/4885ABL2 4545/4885MAPK14 1389/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 ABL1 3753/4885ABL2 4577/4885MAPK14 1309/4885

“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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