SCHEMBL20399622

SCHEMBL20399622

Cc1nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(C#N)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.40
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
RAF1 P04049 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 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
SCHEMBL30561143 1.00 RET (0.40) RETJAK3BTKRAF1KDM4E
SCHEMBL20399623 0.86 ALDH1A1 (0.34) KDM4EKMT2AALDH1A1MEN1MAPK1
SCHEMBL21115170 0.83 RET (0.34) RETRAF1CNR1CNR2
SCHEMBL23508886 0.83 RET (0.45) RETJAK3BTK
SCHEMBL30538222 0.82 RET (0.36) RETRAF1CNR1CNR2
SCHEMBL19785574 0.82 RET (0.36) RETRAF1CNR1CNR2
SCHEMBL23500612 0.82 RET (0.46) RETJAK3BTKCNR1CNR2
SCHEMBL20399587 0.82 RET (0.46) RETJAK3BTKCNR1CNR2
SCHEMBL30561130 0.82 RET (0.46) RETJAK3BTKCNR1CNR2
SCHEMBL22389965 0.82 RET (0.40) RETJAK3BTKRAF1

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 10 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
CN-117327075-A Bicyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-02 CN disclosed
CN-110446709-B Bicyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2023-09-12 CN 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
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 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
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 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 (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 RET 83/4885JAK3 177/4885BTK 54/4885
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 RET 73/4885JAK3 117/4885BTK 75/4885
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN6, PTPN1 RET 28/4885JAK3 550/4885BTK 148/4885
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN4 RET 80/4885JAK3 126/4885BTK 76/4885

“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.