SCHEMBL19785342

SCHEMBL19785342

Cc1nc(NCC2CCNC2)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.41
KDM1A O60341 1/20 0.39
CCNT1 O60563 8/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
KCNH2 Q12809 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CDK9 P50750 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
IRAK1 P51617 1/20 0.36

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
SCHEMBL25514421 0.94 CCNT1 (0.45) PTPN11CCNT1BRD4ATAD2KCNH2
SCHEMBL19785567 0.94 PTPN11 (0.42) PTPN11CCNT1BRD4ATAD2KCNH2
SCHEMBL30137522 0.89 PTPN11 (0.52) PTPN11KDM1ACCNT1KCNH2JAK2
SCHEMBL19785442 0.87 IRAK4 (0.39) PTPN11CCNT1KCNH2CDK9IRAK4
SCHEMBL19785441 0.87 IRAK4 (0.39) PTPN11CCNT1KCNH2CDK9IRAK4
SCHEMBL25514397 0.87 PTPN11 (0.44) PTPN11CCNT1KCNH2
SCHEMBL25514404 0.86 PTPN11 (0.43) PTPN11CCNT1KCNH2
SCHEMBL19785257 0.86 PTPN11 (0.38) PTPN11CCNT1KCNH2
SCHEMBL30295944 0.85 BRD4 (0.43) PTPN11KDM1ACCNT1BRD4ATAD2
SCHEMBL30295976 0.84 PTPN11 (0.40) PTPN11CCNT1KCNH2

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 12 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
CN-116478131-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN disclosed
CN-116478132-A 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-07-25 CN 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-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
CN-109983001-B 2, 5-disubstituted 3-methylpyrazines and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors 锐新医药公司 2023-04-04 CN 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
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 (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 15/4885KDM1A 689/4885CCNT1 4520/4885
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 8/4885KDM1A 767/4885CCNT1 4574/4885
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 12/4885KDM1A 855/4885CCNT1 4764/4885
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 8/4885KDM1A 767/4885CCNT1 4574/4885
US-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER PTPN18, PTPN7, PTPN1 PTPN11 14/4885KDM1A 1297/4885CCNT1 4499/4885
US-20200368238-A1 SHP2 INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER DUSP3, PTPRCAP, PTPN1 PTPN11 32/4885KDM1A 1431/4885CCNT1 3177/4885

“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.