SCHEMBL2450873

SCHEMBL2450873

COc1ccc(CNc2ccnc(Cl)c2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.50
CLK1 P49759 3/20 0.50
CLK2 P49760 2/20 0.50
DYRK1A Q13627 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
EGFR P00533 1/20 0.49
IGF1R P08069 1/20 0.49
NCF1 P14598 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ASPH Q12797 2/20 0.44
KDM8 Q8N371 2/20 0.44
NPC1 O15118 1/20 0.44
VNN1 O95497 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43

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
SCHEMBL30148165 1.00 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL16381015 0.83 EGFR (0.49) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL25750998 0.81 CLK4 (0.48) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL8666897 0.81 BACE1 (0.55) EGFRIGF1RALDH1A1LMNASMN1; SMN2
SCHEMBL4901416 0.81 CLK4 (0.50) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL13351975 0.80 NPC1 (0.52) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL29433975 0.80 NCF1 (0.62) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1743488 0.78 EGFR (0.55) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5233252 0.78 HTT (0.58) EGFRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL29634669 0.78 HTT (0.58) EGFRALDH1A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-20100184801-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS CURIS, INC. 2010-07-22 US disclosed
EP-2069324-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS Curis, Inc. (US) 2009-06-17 EP disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO disclosed
WO-2008115262-A2 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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 (8 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CLK4 1166/4885CLK1 771/4885CLK2 646/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 CLK4 1939/4885CLK1 2328/4885CLK2 2044/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CLK4 1914/4885CLK1 2577/4885CLK2 2328/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CLK4 1914/4885CLK1 2577/4885CLK2 2328/4885
US-20100184801-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS IDH2, IDH1, AADAT CLK4 2151/4885CLK1 2679/4885CLK2 2448/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P CLK4 1914/4885CLK1 2577/4885CLK2 2328/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CLK4 1914/4885CLK1 2577/4885CLK2 2328/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P CLK4 1914/4885CLK1 2577/4885CLK2 2328/4885

“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.