SCHEMBL30004676

SCHEMBL30004676

CC1(NC(=O)OC(C)(C)C)CCN(c2nccc(C#N)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.46
PANK3 Q9H999 1/20 0.46
RIPK1 Q13546 1/20 0.40
ACHE P22303 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CTSS P25774 1/20 0.38
CHRM2 P08172 1/20 0.38
ACACB O00763 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL28676196 1.00 RET (0.46) RETPANK3RIPK1ACHEDDB1
SCHEMBL7394146 0.85 PANK3 (0.42) RETPANK3ACHEDDB1CRBN
SCHEMBL22389879 0.85 PANK3 (0.50) PANK3RIPK1ACHECTSSCHRM2
SCHEMBL22389947 0.83 RET (0.44) RETGPR119
SCHEMBL28562329 0.82 RET (0.42) RETACHEDDB1CRBNGPR119
SCHEMBL6701202 0.82 CYP3A4 (0.50) RETACHEGPR119
SCHEMBL28685652 0.80 RET (0.45) RETGPR119
SCHEMBL31318812 0.80 RET (0.45) RETGPR119
SCHEMBL25834000 0.78 PANK3 (0.47) PANK3RIPK1CTSSCHRM2ACACB
SCHEMBL25237876 0.78 ACHE (0.58) PANK3ACHEDDB1CRBNGPR119

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 RET 60/4885PANK3 1328/4885RIPK1 447/4885
US-20220362244-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 RET 60/4885PANK3 1328/4885RIPK1 447/4885

“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.