SCHEMBL6799139

SCHEMBL6799139

CNC(=O)c1c(N[C@H]2CCOC2)cc(C)nc1Oc1c(C)cc(Cl)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
GRM5 P41594 5/20 0.35
ADORA1 P30542 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
EZH2 Q15910 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE1B Q01064 1/20 0.34
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CHRM4 P08173 1/20 0.33
FGFR3 P22607 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
SCHEMBL6799142 1.00 LRRK2 (0.36) LRRK2GRM5ADORA1HSP90AA1HSP90AB1
SCHEMBL5844055 0.90 PDE1B (0.36) LRRK2GRM5HSP90AA1HSP90AB1HSP90B1
SCHEMBL6792201 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6797534 0.90 PDE1B (0.36) LRRK2GRM5HSP90AA1HSP90AB1HSP90B1
SCHEMBL6798085 0.84 CRHR1 (0.41) PDE1B
SCHEMBL6799371 0.82 PDE1B (0.35) ADORA1EZH2PDE1B
SCHEMBL6800968 0.82 EZH2 (0.35) ADORA1EZH2PDE1B
SCHEMBL6799775 0.80 LRRK2 (0.38) LRRK2EZH2PDE1B
SCHEMBL5845474 0.80 HPGDS (0.38) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6798573 0.80 BCL6 (0.37) MAPK1PDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 LRRK2 1455/4885GRM5 59/4885ADORA1 498/4885

“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.