SCHEMBL29614892

SCHEMBL29614892

Cn1nc(NC(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1-c1ccc2ccncc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.56
▸ ABL2 P42684 6/20 0.56
▸ MAPK14 Q16539 3/20 0.53
▸ SRC P12931 4/20 0.51
▸ RET P07949 3/20 0.49
▸ KDR P35968 2/20 0.49
▸ FGFR4 P22455 3/20 0.48
▸ MKNK2 Q9HBH9 2/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK8 P49336 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
SCHEMBL19307100 1.00 ABL1 (0.56) ABL1ABL2MAPK14SRCRET
SCHEMBL19307185 0.94 ABL1 (0.63) ABL1ABL2MAPK14SRCRET
SCHEMBL29614711 0.94 ABL1 (0.63) ABL1ABL2MAPK14SRCRET
SCHEMBL19307088 0.93 RET (0.58) ABL1ABL2MAPK14SRCRET
SCHEMBL29614747 0.93 RET (0.58) ABL1ABL2MAPK14SRCRET
SCHEMBL29614927 0.93 ABL1 (0.55) ABL1ABL2MAPK14SRCRET
SCHEMBL19307149 0.93 ABL1 (0.55) ABL1ABL2MAPK14SRCRET
SCHEMBL19307122 0.93 ABL1 (0.55) ABL1ABL2MAPK14SRCRET
SCHEMBL29614903 0.93 ABL1 (0.55) ABL1ABL2MAPK14SRCRET
SCHEMBL19307108 0.91 ABL1 (0.55) ABL1ABL2MAPK14SRCRET

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-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.

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