SCHEMBL19307097

SCHEMBL19307097

CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc(-c5ccc(N)nc5)cc4)[nH]n3)cc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.64
▸ ABL1 P00519 8/20 0.63
▸ ABL2 P42684 3/20 0.63
▸ RET P07949 3/20 0.59
▸ KDR P35968 2/20 0.59
▸ CDK1 P06493 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ NTRK1 P04629 1/20 0.53
▸ NTRK3 Q16288 1/20 0.53
▸ NTRK2 Q16620 1/20 0.53
▸ SRC P12931 3/20 0.53
▸ BCR P11274 3/20 0.52
▸ MKNK1 Q9BUB5 3/20 0.52
▸ MKNK2 Q9HBH9 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52

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
SCHEMBL29614821 1.00 FGFR4 (0.64) FGFR4ABL1ABL2RETKDR
SCHEMBL29614886 0.89 ABL1 (0.57) FGFR4ABL1ABL2RETKDR
SCHEMBL19307144 0.89 ABL1 (0.57) FGFR4ABL1ABL2RETKDR
SCHEMBL24449111 0.86 FGFR4 (0.61) FGFR4ABL1ABL2RETKDR
SCHEMBL19316705 0.86 ABL1 (0.71) FGFR4ABL1ABL2RETKDR
SCHEMBL24448260 0.84 ABL1 (0.73) FGFR4ABL1ABL2RETKDR
SCHEMBL29614781 0.83 ABL1 (0.64) FGFR4ABL1ABL2RETKIT
SCHEMBL19307139 0.83 ABL1 (0.64) FGFR4ABL1ABL2RETKIT
SCHEMBL19317709 0.83 ABL1 (0.76) FGFR4ABL1ABL2RETCDK1
SCHEMBL19316710 0.83 ABL1 (0.65) FGFR4ABL1ABL2RETKDR

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 11 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-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-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-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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 — — 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 (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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 FGFR4 4217/4885ABL1 3753/4885ABL2 4577/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 FGFR4 4208/4885ABL1 3590/4885ABL2 4545/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 FGFR4 4217/4885ABL1 3753/4885ABL2 4577/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 FGFR4 4833/4885ABL1 4516/4885ABL2 2755/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 FGFR4 4208/4885ABL1 3590/4885ABL2 4545/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 FGFR4 4217/4885ABL1 3753/4885ABL2 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.

Send feedback