SCHEMBL19316714

SCHEMBL19316714

CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5nc(N)ncc5c4)n(C)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ ABL1 P00519 5/20 0.46
▸ KIT P10721 1/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ MTOR P42345 2/20 0.44
▸ ALK Q9UM73 4/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ KDR P35968 3/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL19316715 0.91 NTRK1 (0.43) FLT3CSF1RABL1KITMAPK14
SCHEMBL19316721 0.89 DDR2 (0.48) ABL1KITMAPK14ABL2KDR
SCHEMBL19307227 0.86 ABL1 (0.60) ABL1KITMAPK14ABL2KDR
SCHEMBL29614760 0.86 ABL1 (0.60) ABL1KITMAPK14ABL2KDR
SCHEMBL19317711 0.85 ABL1 (0.53) FLT3CSF1RABL1KITPIK3CA
SCHEMBL19307214 0.82 MAPK14 (0.59) FLT3CSF1RABL1PIK3CAMTOR
SCHEMBL29614737 0.82 MAPK14 (0.59) FLT3CSF1RABL1PIK3CAMTOR
SCHEMBL20214661 0.80 ABL1 (0.46) ABL1KITMAPK14ABL2CDK1
SCHEMBL20227801 0.79 ABL1 (0.51) ABL1MAPK14ABL2KDRLCK
SCHEMBL21351433 0.78 MAPK14 (0.44) FLT3CSF1RABL1MAPK14ABL2

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 FLT3 4146/4885CSF1R 3962/4885ABL1 3753/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 FLT3 4146/4885CSF1R 3962/4885ABL1 3753/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 FLT3 4746/4885CSF1R 4026/4885ABL1 4516/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 FLT3 3971/4885CSF1R 3858/4885ABL1 3590/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 FLT3 4146/4885CSF1R 3962/4885ABL1 3753/4885

“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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