SCHEMBL19785350

SCHEMBL19785350

Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3NC(=O)OC(C)(C)C)c(CO)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.41
KCNH2 Q12809 3/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL30110917 1.00 PTPN11 (0.41) PTPN11KCNH2EGFR
SCHEMBL31604429 0.91 PTPN11 (0.34) PTPN11KCNH2EGFR
SCHEMBL30320916 0.90 PTPN11 (0.47) PTPN11KCNH2EGFR
SCHEMBL21115168 0.90 PTPN11 (0.47) PTPN11KCNH2EGFR
SCHEMBL23160722 0.86 PTPN11 (0.30) PTPN11KCNH2EGFR
SCHEMBL30694371 0.86 PTPN11 (0.30) PTPN11KCNH2EGFR
SCHEMBL21115128 0.86 PTPN11 (0.31) PTPN11KCNH2EGFR
SCHEMBL21806895 0.85 PTPN11 (0.44) PTPN11
SCHEMBL24152338 0.85 PTPN11 (0.44) PTPN11
SCHEMBL29960584 0.85 PTPN11 (0.44) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US disclosed
EP-4368625-A1 SHP2 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-05-15 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
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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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
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
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
WO-2022042331-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-03-03 WO 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 (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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 PTPN11 5/4885KCNH2 2405/4885EGFR 883/4885
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 8/4885KCNH2 2485/4885EGFR 2069/4885
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 PTPN11 16/4885KCNH2 4661/4885EGFR 806/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 PTPN11 16/4885KCNH2 4661/4885EGFR 806/4885

“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.