SCHEMBL30809735

SCHEMBL30809735

CC1(NC(=O)OC(C)(C)C)CCN(c2nc(Cl)cnc2CO[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.38
▸ MAPKAPK2 P49137 3/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ RAF1 P04049 1/20 0.32
▸ KIF18A Q8NI77 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30

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
SCHEMBL23126467 1.00 RET (0.38) RETMAPKAPK2CNR1CNR2RAF1
SCHEMBL30809736 1.00 RET (0.38) RETMAPKAPK2CNR1CNR2RAF1
SCHEMBL23064027 0.91 CNR1 (0.31) RETCNR1CNR2KIF18A
SCHEMBL23126464 0.86 RET (0.41) RETMAPKAPK2CNR1CNR2DRD2
SCHEMBL30809737 0.84 RET (0.34) RETCNR1CNR2RAF1DRD2
SCHEMBL23126465 0.82 RET (0.38) RETCNR1CNR2JAK3BTK
SCHEMBL30809728 0.82 RET (0.38) RETCNR1CNR2JAK3BTK
SCHEMBL28520538 0.81 PTPN11 (0.32) CNR2KIF18A
SCHEMBL23063934 0.79 RET (0.39) RETMAPKAPK2CNR1CNR2RAF1
SCHEMBL23126466 0.78 RET (0.33) RET

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-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2024-03-19 — — 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-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP RET 121/4885MAPKAPK2 149/4885CNR1 4212/4885

“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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