SCHEMBL30005349

SCHEMBL30005349

CC1(NC(=O)OC(C)(C)C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c(C#N)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.51
RET P07949 6/20 0.43
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42

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
SCHEMBL28667431 1.00 PTPN11 (0.51) PTPN11RETHDAC3HDAC4HDAC1
SCHEMBL22389898 0.88 PTPN11 (0.55) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL16926933 0.87 PTPN11 (0.64) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL29710130 0.87 PTPN11 (0.64) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL29771167 0.87 PTPN11 (0.51) PTPN11
SCHEMBL22389872 0.87 PTPN11 (0.52) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL22389873 0.87 PTPN11 (0.51) PTPN11
SCHEMBL31318780 0.87 PTPN11 (0.52) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL22389957 0.86 PTPN11 (0.69) PTPN11
SCHEMBL31318790 0.86 PTPN11 (0.69) PTPN11

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
CN-113795483-B Carboxamide-pyrimidine derivatives as SHP2 antagonists 默克专利有限公司 2024-12-31 CN disclosed
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

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 PTPN11 5/4885RET 60/4885HDAC3 760/4885
US-20220362244-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 PTPN11 5/4885RET 60/4885HDAC3 760/4885

“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.