SCHEMBL22694149

SCHEMBL22694149

Cc1nc(N2CCC3(CCC(C)C3)CC2)c(C(N)=O)nc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.47
KCNH2 Q12809 1/20 0.41

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
SCHEMBL19785304 0.88 PTPN11 (0.51) PTPN11KCNH2
SCHEMBL22694097 0.87 PTPN11 (0.46) PTPN11
SCHEMBL21154728 0.85 PTPN11 (0.61) PTPN11
SCHEMBL22694148 0.85 PTPN11 (0.61) PTPN11
SCHEMBL23186854 0.80 PTPN11 (0.50) PTPN11KCNH2
SCHEMBL19588904 0.75 PTPN11 (0.60) PTPN11KCNH2
SCHEMBL16926369 0.75 PTPN11 (0.70) PTPN11KCNH2
SCHEMBL23266472 0.75 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL19785302 0.75 PTPN11 (0.46) PTPN11
SCHEMBL23186865 0.74 PTPN11 (0.52) 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-20200368238-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2020-11-26 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-20200368238-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER DUSP3, PTPRCAP, PTPN1 PTPN11 32/4885KCNH2 4786/4885

“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.