SCHEMBL30561102

SCHEMBL30561102

Cc1nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(C#N)nc1-c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.47
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EGFR P00533 1/20 0.40
KCNH2 Q12809 1/20 0.40
RET P07949 6/20 0.39

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
SCHEMBL20418044 1.00 PTPN11 (0.47) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL20417882 0.90 PTPN11 (0.43) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL25365596 0.89 PTPN11 (0.52) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23126468 0.87 PTPN11 (0.51) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30809730 0.87 PTPN11 (0.51) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30561183 0.86 PTPN11 (0.59) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30594000 0.86 PTPN11 (0.59) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL20399797 0.86 PTPN11 (0.59) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL22389873 0.84 PTPN11 (0.51) PTPN11
SCHEMBL29771167 0.84 PTPN11 (0.51) PTPN11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571199-B1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-22 EP disclosed
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-16 US disclosed
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2025-07-22 US disclosed
US-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-06-20 US disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 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 (4 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-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPN2 PTPN11 12/4885HDAC3 1112/4885HDAC4 1838/4885
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 PTPN11 13/4885HDAC3 1008/4885HDAC4 1182/4885
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN6, PTPN1 PTPN11 9/4885HDAC3 226/4885HDAC4 1131/4885
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN4 PTPN11 9/4885HDAC3 1008/4885HDAC4 837/4885

“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.