SCHEMBL25801830

SCHEMBL25801830

CCC1(C(C)C)Cc2cnccc2[C@H]1N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL25802341 0.89 PTPN11 (0.33) PTPN11
SCHEMBL25802277 0.79 PTPN11 (0.33) PTPN11KCNH2
SCHEMBL22393733 0.79 HTR2A (0.38) KCNH2
SCHEMBL24151656 0.73 PTPN11 (0.34) PTPN11KCNH2
SCHEMBL24388859 0.72 PTPN11 (0.36) PTPN11KCNH2
SCHEMBL25803172 0.71 PTPN11 (0.34) PTPN11KCNH2
SCHEMBL25801832 0.71 KCNH2 (0.33) PTPN11KCNH2
SCHEMBL24375017 0.71
SCHEMBL25802340 0.69 PTPN11 (0.34) PTPN11KCNH2
SCHEMBL24878788 0.69 PTPN11 (0.46) PTPN11KCNH2

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 PTPN11 5/4885KCNH2 2405/4885

“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.