SCHEMBL21115092

SCHEMBL21115092

Cc1nc(N2CCC(C)(NC(=O)O)CC2)cnc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC7 Q8WUI4 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
HDAC5 Q9UQL6 6/20 0.41
PTPN11 Q06124 7/20 0.35
RET P07949 4/20 0.34
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL16915565 0.88 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19785238 0.85 RET (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30511931 0.85 RET (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16915590 0.78 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29041452 0.78 CNR1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20137707 0.76 PANK3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21989767 0.75 BTK (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5148961 0.75 KDM4E (0.51)
SCHEMBL21856174 0.74 PTPN11 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21115112 0.73 PTPN11 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20240116878-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 2024-04-11 US disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
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-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-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-10590090-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2020-03-17 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 (5 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-10590090-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 HDAC3 1209/4885HDAC4 2041/4885HDAC1 687/4885
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 HDAC3 897/4885HDAC4 1535/4885HDAC1 770/4885
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 HDAC3 1209/4885HDAC4 2041/4885HDAC1 687/4885
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 HDAC3 897/4885HDAC4 1535/4885HDAC1 770/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 HDAC3 1209/4885HDAC4 2041/4885HDAC1 687/4885

“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.