SCHEMBL30495441

SCHEMBL30495441

CC(C)(C)[S@@+]([O-])N[C@@H]1CCCC12CCN(c1cnc(-c3ccnc(Cl)c3Cl)cn1)CC2

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.46
KCNH2 Q12809 1/20 0.40

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
Propionic Acid SCHEMBL22584608 0.93 PTPN11 (0.44) PTPN11KCNH2
SCHEMBL25810605 0.82 PTPN11 (0.52) PTPN11
SCHEMBL20899408 0.80 PTPN11 (0.56) PTPN11
SCHEMBL16914390 0.79 PTPN11 (0.73) PTPN11
SCHEMBL16925308 0.79 PTPN11 (0.73) PTPN11
SCHEMBL24879054 0.79 PTPN11 (0.38) PTPN11KCNH2
SCHEMBL30295766 0.74 PTPN11 (0.56) PTPN11KCNH2
SCHEMBL19785034 0.74 PTPN11 (0.56) PTPN11KCNH2
SCHEMBL23160727 0.74 PTPN11 (0.56) PTPN11KCNH2
SCHEMBL16925245 0.74 PTPN11 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-07-18 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-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 PTPN11 6/4885KCNH2 3400/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 PTPN11 6/4885KCNH2 3400/4885

“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.