SCHEMBL23745180

SCHEMBL23745180

CNc1ncc2cc(-c3cc(NC(=O)N4CCOCC4)ccc3C)cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.59
▸ RAF1 P04049 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KDR P35968 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BRAF P15056 5/20 0.43
▸ KRAS P01116 1/20 0.43

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
SCHEMBL22652907 0.91 ABL1 (0.58) ABL1RAF1KDM4EALDH1A1KDR
SCHEMBL22625576 0.86 RAF1 (0.60) ABL1RAF1KDRLCKJAK3
SCHEMBL22625558 0.85 BRAF (0.57) ABL1RAF1KDRLCKJAK3
SCHEMBL30440240 0.85 BRAF (0.57) ABL1RAF1KDRLCKJAK3
SCHEMBL22612850 0.85 BRAF (0.57) ABL1RAF1KDRLCKJAK3
SCHEMBL23745331 0.84 RAF1 (0.60) ABL1RAF1KDM4EALDH1A1KDR
SCHEMBL22612832 0.82 RAF1 (0.63) ABL1RAF1KDRLCKJAK3
SCHEMBL22612799 0.82 RAF1 (0.63) ABL1RAF1KDRLCKJAK3
SCHEMBL22612789 0.82 RAF1 (0.63) ABL1RAF1KDRLCKJAK3
SCHEMBL29427253 0.82 RAF1 (0.63) ABL1RAF1KDRLCKJAK3

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-20210246135-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2021-08-12 — — 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-20210246135-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS ABL1 8/4885RAF1 2/4885KDM4E 2067/4885

“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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