SCHEMBL6764092

SCHEMBL6764092

Cc1nnc(-c2ccc3ncnc(Cl)c3c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
LRRK2 Q5S007 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAP4K4 O95819 6/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
HTT P42858 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL6767023 0.89 LRRK2 (0.40) GSK3BLRRK2PDE4APDE4BPDE4C
SCHEMBL6767927 0.80 HDAC6 (0.45) PDE4APDE4BPDE4CPDE4DCLK4
SCHEMBL6770169 0.77 ENPP1 (0.34) LRRK2PDE4APDE4BPDE4CPDE4D
SCHEMBL10046733 0.75 CLK1 (0.51) GSK3BPDE4APDE4BPDE4CPDE4D
SCHEMBL25255116 0.73 L3MBTL1 (0.50) GSK3BPDE4APDE4BPDE4CPDE4D
SCHEMBL6770005 0.72 PARP1 (0.56) PIM1PIM3
SCHEMBL11884342 0.72 NOTUM (0.60) LRRK2LMNAHPGDSMN1; SMN2NOTUM
SCHEMBL15430488 0.71 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCLK4
SCHEMBL22972040 0.71 LRRK2 (0.43) GSK3BLRRK2LMNAHPGDSMN1; SMN2
SCHEMBL146680 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMAP4K4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (1 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK GSK3B 346/4885LRRK2 731/4885PDE4A 1422/4885

“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.