SCHEMBL22694151

SCHEMBL22694151

CC(=O)Nc1cc(-c2nc(CO)c(N3CCC4(CC3)CO[C@@H](I)[C@H]4N)nc2C)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.48
KCNH2 Q12809 2/20 0.48
EGFR P00533 1/20 0.48
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL21154426 0.92 PTPN11 (0.58) PTPN11KCNH2EGFR
SCHEMBL21154954 0.82 PTPN11 (0.40) PTPN11KCNH2EGFRADORA2AADORA1
SCHEMBL23425247 0.82 PTPN11 (0.38) PTPN11KCNH2EGFRADORA2AADORA1
SCHEMBL21154827 0.81 PTPN11 (0.51) PTPN11KCNH2EGFR
SCHEMBL22694136 0.80 PTPN11 (0.49) PTPN11KCNH2EGFR
SCHEMBL22694138 0.80 PTPN11 (0.63) PTPN11KCNH2EGFR
SCHEMBL22694153 0.80 PTPN11 (0.49) PTPN11KCNH2EGFR
SCHEMBL22694114 0.79 PTPN11 (0.49) PTPN11KCNH2EGFR
SCHEMBL23425279 0.74 PTPN11 (0.83) PTPN11KCNH2EGFR
SCHEMBL21154226 0.73 PTPN11 (0.61) PTPN11KCNH2EGFR

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 4786/4885EGFR 499/4885

“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.