SCHEMBL19317697

SCHEMBL19317697

Cn1nc(NC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1C#Cc1ccc(N)nc1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.86
ABL2 P42684 6/20 0.86
MAPK14 Q16539 3/20 0.60
KIT P10721 4/20 0.56
RET P07949 2/20 0.49
KDR P35968 3/20 0.46
FGFR1 P11362 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.45

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
SCHEMBL19317696 0.93 ABL1 (0.89) ABL1ABL2MAPK14KITRET
SCHEMBL19317676 0.93 ABL1 (1.00) ABL1ABL2MAPK14KITRET
SCHEMBL19317694 0.91 ABL1 (0.89) ABL1ABL2MAPK14KITRET
SCHEMBL19317699 0.85 ABL1 (0.86) ABL1ABL2MAPK14KITRET
SCHEMBL19317690 0.83 ABL1 (0.83) ABL1ABL2MAPK14KITRET
SCHEMBL19317700 0.83 ABL1 (0.87) ABL1ABL2MAPK14RET
SCHEMBL19317688 0.83 ABL1 (0.81) ABL1ABL2MAPK14KITRET
SCHEMBL19317682 0.82 ABL1 (0.81) ABL1ABL2MAPK14KITRET
SCHEMBL19317678 0.82 ABL1 (0.81) ABL1ABL2MAPK14KITRET
SCHEMBL19317705 0.82 ABL1 (0.87) ABL1ABL2MAPK14RET

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 ABL1 4516/4885ABL2 2755/4885MAPK14 4190/4885

“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.