SCHEMBL23186804

SCHEMBL23186804

Cc1nc(N2CCC3(CCCC3)CC2)c(CO)nc1-c1cccc(-c2ccnn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 3/20 0.46
PTPN11 Q06124 5/20 0.44
EGFR P00533 1/20 0.40
KCNH2 Q12809 1/20 0.40
USP30 Q70CQ3 1/20 0.35
P2RX7 Q99572 1/20 0.34
NT5E P21589 1/20 0.33
MAP3K5 Q99683 1/20 0.33
ATR Q13535 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP11B2 P19099 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP7 Q93009 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
SCHEMBL21154184 0.89 PTPN11 (0.57) KIF18APTPN11EGFRKCNH2USP30
SCHEMBL25514708 0.86 PTPN11 (0.44) KIF18APTPN11EGFRKCNH2USP30
SCHEMBL21154144 0.85 PTPN11 (0.46) KIF18APTPN11EGFRKCNH2
SCHEMBL23186800 0.73 PTPN11 (0.39) KIF18APTPN11EGFRKCNH2
SCHEMBL23186797 0.73 SCN10A (0.43) KIF18APTPN11EGFRKCNH2PIK3CA
SCHEMBL23186783 0.72 PTPN11 (0.40) PTPN11EGFRKCNH2
SCHEMBL22789641 0.72 PTPN11 (0.41) PTPN11EGFRKCNH2USP30
SCHEMBL23186796 0.70 PTPN11 (0.41) PTPN11EGFRKCNH2PIK3CA
SCHEMBL19785090 0.69 PTPN11 (0.58) PTPN11EGFRKCNH2
SCHEMBL22789666 0.69 PTPN11 (0.50) PTPN11EGFRKCNH2KDM4ENPC1

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
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 US disclosed
US-20210154190-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER Revolution Medicines, Inc. 2021-05-27 US disclosed
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-04-08 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 (3 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 KIF18A 3038/4885PTPN11 15/4885EGFR 491/4885
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 KIF18A 3171/4885PTPN11 8/4885EGFR 2069/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 KIF18A 3171/4885PTPN11 8/4885EGFR 2069/4885

“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.