SCHEMBL20347127

SCHEMBL20347127

C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)cn1)CC2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.59
▸ KCNH2 Q12809 3/20 0.59

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
SCHEMBL18328426 0.90 PTPN11 (0.73) PTPN11KCNH2
SCHEMBL20347114 0.87 PTPN11 (0.49) PTPN11KCNH2
SCHEMBL20347128 0.85 PTPN11 (0.52) PTPN11KCNH2
SCHEMBL20347142 0.84 PTPN11 (0.58) PTPN11KCNH2
SCHEMBL20382835 0.84 PTPN11 (0.84) PTPN11KCNH2
SCHEMBL20382834 0.84 PTPN11 (0.84) PTPN11KCNH2
SCHEMBL19937959 0.84 PTPN11 (0.84) PTPN11KCNH2
SCHEMBL20347094 0.83 PTPN11 (0.49) PTPN11KCNH2
SCHEMBL21927036 0.83 PTPN11 (0.55) PTPN11KCNH2
SCHEMBL20347091 0.82 PTPN11 (0.50) 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-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — 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-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 PTPN11 12/4885KCNH2 3266/4885

“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.

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