SCHEMBL16926331

SCHEMBL16926331

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)cnc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.36
PDPK1 O15530 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SSTR4 P31391 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TRPA1 O75762 1/20 0.32
ATR Q13535 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
BACE1 P56817 1/20 0.31
GBA1 P04062 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
SCHEMBL29837499 1.00 MAPKAPK2 (0.36) MAPKAPK2PDPK1STK17BSTK17ASSTR4
SCHEMBL26662783 0.87 PDPK1 (0.33) PDPK1SSTR4USP30BACE1
SCHEMBL29512299 0.87 PDPK1 (0.33) PDPK1SSTR4USP30BACE1
SCHEMBL26975107 0.84 MAPKAPK2 (0.36) MAPKAPK2PDPK1STK17BSTK17ALMNA
SCHEMBL26646973 0.81 CCR4 (0.36) MAPKAPK2PDPK1STK17BSTK17ALMNA
SCHEMBL30068021 0.81 CCR4 (0.36) MAPKAPK2PDPK1STK17BSTK17ALMNA
SCHEMBL25351955 0.80 SSTR4 (0.32) PDPK1SSTR4USP30BACE1
SCHEMBL30550888 0.80 NFKB1 (0.35) MAPKAPK2PDPK1STK17BSTK17ALMNA
SCHEMBL2386488 0.79 SSTR4 (0.34) PDPK1SSTR4USP30AAK1BACE1
SCHEMBL22958315 0.78 PDPK1 (0.34) MAPKAPK2PDPK1STK17BSTK17ASSTR4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240083897-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. 2024-03-14 US disclosed
EP-4328228-A1 HETEROCYCLIC COMPOUND FOR INHIBITING SHP2 ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-02-28 EP disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-117203206-A GCN2 modulating compounds and uses thereof 希伯塞尔股份有限公司 2023-12-08 CN disclosed
EP-4281182-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF Hibercell, Inc. (US) 2023-11-29 EP disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
US-20180065949-A1 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREFOR FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-03-08 US disclosed
US-9815813-B2 1-(triazin-3-yl/pyridazin-3-yl)-piper(-azine)idine derivatives and compositions therefor for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20170204080-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-07-20 US disclosed
US-20170001975-A1 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREFOR FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-01-05 US disclosed
WO-2015107493-A1 1 -PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 WO disclosed
WO-2015107494-A1 1 -(TRIAZIN-3-YI_/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 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 (9 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 MAPKAPK2 191/4885PDPK1 287/4885STK17B 591/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 MAPKAPK2 191/4885PDPK1 287/4885STK17B 591/4885
US-20240083897-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 MAPKAPK2 330/4885PDPK1 563/4885STK17B 2623/4885
US-20170001975-A1 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREFOR FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN5, PTPN7 MAPKAPK2 342/4885PDPK1 225/4885STK17B 165/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC MAPKAPK2 241/4885PDPK1 230/4885STK17B 637/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 MAPKAPK2 191/4885PDPK1 287/4885STK17B 591/4885
US-20170204080-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 MAPKAPK2 387/4885PDPK1 281/4885STK17B 330/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 MAPKAPK2 191/4885PDPK1 287/4885STK17B 591/4885
US-20180065949-A1 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREFOR FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN5, PTPN7 MAPKAPK2 342/4885PDPK1 225/4885STK17B 165/4885

“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.