SCHEMBL19785078

SCHEMBL19785078

COc1nc(Cl)ccc1-c1nc(CO)c(N2CCC3(CCCC3)CC2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.51
KCNH2 Q12809 2/20 0.44
EGFR P00533 1/20 0.44
PLAU P00749 2/20 0.35
HSD11B1 P28845 1/20 0.32
CD274 Q9NZQ7 3/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDCD1 Q15116 1/20 0.31

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
SCHEMBL25514472 0.85 PTPN11 (0.48) PTPN11KCNH2EGFR
SCHEMBL21115151 0.84 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL19785077 0.84 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL19785556 0.84 PTPN11 (0.51) PTPN11KCNH2EGFR
SCHEMBL23425262 0.84 PTPN11 (0.51) PTPN11KCNH2EGFRPLAUFFAR4
SCHEMBL21154711 0.84 PTPN11 (0.49) PTPN11KCNH2EGFRCD274PDCD1
SCHEMBL19785090 0.82 PTPN11 (0.58) PTPN11KCNH2EGFR
SCHEMBL19785545 0.77 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL25514635 0.74 PTPN11 (0.45) PTPN11KCNH2EGFRPLAU
SCHEMBL25514461 0.74 PTPN11 (0.58) PTPN11KCNH2EGFRCD274PDCD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
US-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER Revolution Medicines, Inc. 2021-05-27 US disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 WO 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-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER PTPN1, PTPN18, PTPN7 PTPN11 15/4885KCNH2 4135/4885EGFR 491/4885

“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.