SCHEMBL28685652

SCHEMBL28685652

CC1(NC(=O)OC(C)(C)C)CCN(c2ncc(Br)c(C#N)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.45
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
PTPN11 Q06124 4/20 0.35
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL31318812 1.00 RET (0.45) RETJAK3BTKPTPN11GPR119
SCHEMBL16926355 0.87 PTPN11 (0.43) RETPTPN11
SCHEMBL22389959 0.85 PTPN11 (0.39) RETPTPN11
SCHEMBL23508886 0.84 RET (0.45) RETJAK3BTK
SCHEMBL22389965 0.83 RET (0.40) RETJAK3BTK
SCHEMBL22389885 0.83 RET (0.38) RETPTPN11
SCHEMBL30005349 0.82 PTPN11 (0.51) RETPTPN11
SCHEMBL28667431 0.82 PTPN11 (0.51) RETPTPN11
SCHEMBL26633607 0.82 RET (0.39) RETJAK3BTK
SCHEMBL23500612 0.82 RET (0.46) RETJAK3BTK

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-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-11 US disclosed
US-20220362244-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2022-11-17 US disclosed
CN-113795483-A Carboxamide-pyrimidine derivatives as SHP2 antagonists 默克专利有限公司 2021-12-14 CN 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-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 RET 60/4885JAK3 74/4885BTK 61/4885
US-20220362244-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 RET 60/4885JAK3 74/4885BTK 61/4885

“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.