SCHEMBL560806

SCHEMBL560806

Nc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.52
PI4KA P42356 1/20 0.52
XDH P47989 1/20 0.52
LRRK2 Q5S007 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
PLK4 O00444 1/20 0.45
PAK4 O96013 1/20 0.45
PDE2A O00408 1/20 0.39
BTK Q06187 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTT P42858 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
CHEK1 O14757 2/20 0.35
PDPK1 O15530 1/20 0.35
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL29487078 0.79 XDH (0.55) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL53863 0.79 PLK4 (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1014920 0.79 XDH (0.55) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL8095697 0.78 PLK4 (0.55) RETPI4KAXDHLRRK2PI4K2B
Benzene SCHEMBL25427466 0.76 RET (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL95123 0.76 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1597203 0.76 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL95394 0.76 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2266999 0.76 PLK4 (0.45) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL61883 0.76 PLK4 (0.53) PLK4PAK4PDE2ABTKADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050636-A1 MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-03-13 WO disclosed
CN-119552171-A Macrocyclic pyrazolopyrimidine compound and application thereof 浙江养生堂天然药物研究所有限公司 2025-03-04 CN disclosed
WO-2025001407-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUNDS AND USES THEREOF 浙江养生堂天然药物研究所有限公司 2025-01-02 WO disclosed
WO-2025001408-A1 PHOSPHORUS-CONTAINING OR SULFUR-CONTAINING MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-01-02 WO disclosed
CN-119192199-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-12-27 CN disclosed
CN-119176821-A Substituted heterocyclic compounds 首药控股(北京)股份有限公司 2024-12-24 CN disclosed
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 EP disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 EP disclosed
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 WO disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
EP-2356117-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-08-17 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2010059788-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-05-27 WO disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 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 (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-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ RET 72/4885PI4KA 225/4885XDH 3170/4885
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA RET 641/4885PI4KA 3/4885XDH 1418/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ RET 72/4885PI4KA 225/4885XDH 3170/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 RET 365/4885PI4KA 625/4885XDH 1932/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA RET 560/4885PI4KA 3/4885XDH 1187/4885

“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.