SCHEMBL21154955

SCHEMBL21154955

Cc1nc(N2CCC3(CC2)COC[C@H]3N)c(CO)nc1-c1ccc2ncoc2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.45
EGFR P00533 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL21154226 0.87 PTPN11 (0.61) PTPN11EGFRKCNH2
SCHEMBL21154583 0.85 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL23186786 0.81 PTPN11 (0.42) PTPN11EGFRKCNH2
SCHEMBL23425248 0.81 PTPN11 (0.41) PTPN11EGFRKCNH2
SCHEMBL23425259 0.80 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL24233718 0.80 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL23425209 0.75 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL21154402 0.75 PTPN11 (0.74) PTPN11EGFRKCNH2
SCHEMBL19785582 0.74 PTPN11 (0.62) PTPN11EGFRKCNH2
SCHEMBL30295949 0.74 PTPN11 (0.62) PTPN11EGFRKCNH2

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-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER Revolution Medicines, Inc. 2021-05-27 US disclosed
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-07-11 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-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER PTPN1, PTPN18, PTPN7 PTPN11 15/4885EGFR 491/4885KCNH2 4135/4885
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 PTPN11 12/4885EGFR 980/4885KCNH2 3436/4885

“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.