SCHEMBL30006384

SCHEMBL30006384

NC(=O)c1ncncc1-c1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 17/20 0.50
SCN9A Q15858 1/20 0.41
IKBKB O14920 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL29770972 0.74 PTPN11 (0.52) PTPN11
SCHEMBL27714735 0.72 PTPN11 (0.43) PTPN11SCN9AIKBKB
SCHEMBL20621869 0.71 HAVCR2 (0.42) PTPN11SCN9A
SCHEMBL30361792 0.70 ALOX15 (0.44) ITGB1ITGA4
SCHEMBL4502688 0.70 SCN9A (0.54) PTPN11SCN9A
SCHEMBL20621842 0.67 NNMT (0.40) PTPN11SCN9A
SCHEMBL17045019 0.67 CNR2 (0.47) SCN9A
SCHEMBL440943 0.66 TSHR (0.52) SCN9A
SCHEMBL27922028 0.66 KEAP1 (0.51) PTPN11
SCHEMBL944036 0.66 MKNK1 (0.47) IKBKB

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 4 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 claimed
CN-115916765-B Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-18 CN disclosed
CN-115916765-A Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2023-04-04 CN 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 (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-20220362244-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 PTPN11 5/4885SCN9A 2804/4885IKBKB 467/4885

“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.