SCHEMBL20032854

SCHEMBL20032854

C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.75
KCNH2 Q12809 1/20 0.60

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
SCHEMBL20032870 0.94 PTPN11 (0.81) PTPN11KCNH2
SCHEMBL20032869 0.93 PTPN11 (0.83) PTPN11KCNH2
SCHEMBL20032858 0.93 PTPN11 (0.83) PTPN11KCNH2
SCHEMBL25514151 0.92 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL16925253 0.91 PTPN11 (0.91) PTPN11
SCHEMBL20032851 0.88 PTPN11 (0.82) PTPN11KCNH2
SCHEMBL20382844 0.88 PTPN11 (0.65) PTPN11KCNH2
SCHEMBL20382840 0.87 PTPN11 (0.68) PTPN11KCNH2
SCHEMBL20032877 0.87 PTPN11 (0.83) PTPN11
SCHEMBL20032868 0.87 PTPN11 (0.76) 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-20180201623-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-07-19 US disclosed
US-9938295-B2 2018-04-10 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-20180201623-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 PTPN11 13/4885KCNH2 2788/4885

“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.