SCHEMBL21154399

SCHEMBL21154399

Cc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.56
EGFR P00533 2/20 0.39
KCNH2 Q12809 1/20 0.39
RIPK2 O43353 1/20 0.38
BRD4 O60885 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL21154759 0.93 PTPN11 (0.55) PTPN11EGFRKCNH2BRD4PTPN1
SCHEMBL19785584 0.86 PTPN11 (0.58) PTPN11EGFRKCNH2
SCHEMBL25514545 0.85 PTPN11 (0.45) PTPN11EGFRKCNH2BRD4PIK3CA
SCHEMBL23186778 0.84 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL24233623 0.84 PTPN11 (0.39) PTPN11EGFRKCNH2RIPK2BRD4
SCHEMBL25514515 0.83 PTPN11 (0.41) PTPN11EGFRKCNH2RIPK2BRD4
SCHEMBL23425145 0.82 PTPN11 (0.43) PTPN11EGFRKCNH2BRD4PIK3CA
SCHEMBL21154794 0.82 PTPN11 (0.42) PTPN11EGFRKCNH2BRD4PIK3CA
SCHEMBL23186799 0.78 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514789 0.78 PTPN11 (0.48) 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 7 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-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-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-02-03 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
US-20200368238-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2020-11-26 US disclosed
US-20190210977-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 2019-07-11 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 (6 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-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 PTPN11 8/4885EGFR 2069/4885KCNH2 2485/4885
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 PTPN11 12/4885EGFR 980/4885KCNH2 3436/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 PTPN11 8/4885EGFR 2069/4885KCNH2 2485/4885
US-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER PTPN18, PTPN7, PTPN1 PTPN11 14/4885EGFR 116/4885KCNH2 4775/4885
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.