SCHEMBL22694162

SCHEMBL22694162

Cc1nc(N2CCC3(CC2)CO[C@@H](I)[C@H]3N)c(CO)nc1Sc1ccnc(NC2CC2)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.67
KCNH2 Q12809 3/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL23425263 0.97 PTPN11 (0.65) PTPN11KCNH2EGFR
SCHEMBL23425274 0.96 PTPN11 (0.64) PTPN11KCNH2EGFR
SCHEMBL19785271 0.93 PTPN11 (0.78) PTPN11KCNH2EGFR
SCHEMBL26981000 0.93 PTPN11 (0.78) PTPN11KCNH2EGFR
SCHEMBL30296011 0.93 PTPN11 (0.78) PTPN11KCNH2EGFR
SCHEMBL22694143 0.92 PTPN11 (0.70) PTPN11KCNH2EGFR
SCHEMBL21154242 0.90 PTPN11 (0.76) PTPN11KCNH2EGFR
SCHEMBL22694129 0.89 PTPN11 (0.74) PTPN11KCNH2EGFR
SCHEMBL19785521 0.89 PTPN11 (0.74) PTPN11KCNH2EGFR
SCHEMBL22694112 0.88 PTPN11 (0.85) 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 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 15/4885KCNH2 4135/4885EGFR 491/4885
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.