SCHEMBL22694141

SCHEMBL22694141

Cc1nc(N2CCC3(CC2)CO[C@@H](I)[C@H]3N)c(CO)nc1Sc1ccnc(N2CC(S(C)(=O)=O)C2)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.65
EGFR P00533 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL19785528 0.93 PTPN11 (0.75) PTPN11EGFRKCNH2
SCHEMBL22694117 0.91 PTPN11 (0.69) PTPN11EGFRKCNH2
SCHEMBL22694127 0.88 PTPN11 (0.65) PTPN11EGFRKCNH2
SCHEMBL22694129 0.87 PTPN11 (0.74) PTPN11EGFRKCNH2
SCHEMBL22694112 0.86 PTPN11 (0.85) PTPN11EGFRKCNH2
SCHEMBL22694113 0.86 PTPN11 (0.70) PTPN11EGFRKCNH2
SCHEMBL22694142 0.86 PTPN11 (0.72) PTPN11EGFRKCNH2
SCHEMBL25290060 0.85 PTPN11 (0.76) PTPN11EGFRKCNH2
SCHEMBL22694130 0.85 PTPN11 (0.65) PTPN11EGFRKCNH2
SCHEMBL22694108 0.85 PTPN11 (0.63) 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-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 (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-20200368238-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER DUSP3, PTPRCAP, PTPN1 PTPN11 32/4885EGFR 499/4885KCNH2 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.