SCHEMBL19785523

SCHEMBL19785523

N#Cc1nc(N2CCC3(CCCC3)CC2)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.56
KCNH2 Q12809 3/20 0.56
MAPK3 P27361 1/20 0.46
MAPK1 P28482 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
SCHEMBL25514156 0.89 PTPN11 (0.63) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785117 0.87 PTPN11 (0.75) PTPN11KCNH2MAPK3MAPK1
SCHEMBL24233647 0.86 PTPN11 (0.52) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295960 0.85 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL19785118 0.85 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL21115075 0.85 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL23425214 0.85 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20385848 0.85 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL23186842 0.85 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514184 0.84 PTPN11 (0.63) PTPN11KCNH2

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 4135/4885MAPK3 555/4885

“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.