SCHEMBL659190

SCHEMBL659190

O=C1Cc2ncc(F)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.37
CMA1 P23946 2/20 0.37
MAOB P27338 2/20 0.36
GSK3B P49841 5/20 0.35
GSK3A P49840 4/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 3/20 0.35
PDK2 Q15119 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PLK1 P53350 1/20 0.33
AOC2 O75106 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 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
SCHEMBL3515984 0.84 NPC1 (0.35) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL658962 0.78 AHR (0.53) AHRCMA1GSK3BGSK3ACDK5
SCHEMBL660464 0.78 AHR (0.49) AHRCMA1GSK3BGSK3ACDK5
SCHEMBL13617978 0.78 AHR (0.37) AHRCMA1GSK3BGSK3ACDK5
SCHEMBL659787 0.78 RAB9A (0.40) AHRCMA1GSK3BGSK3APDK2
SCHEMBL5502802 0.77 MAPT (0.43) GSK3BGSK3ACDK5CDK5R1
SCHEMBL15332656 0.75 AHR (0.35) AHRCMA1GSK3BGSK3ACDK5
SCHEMBL30104080 0.74 HTT (0.42) GSK3BGSK3ACDK5CDK5R1PLK1
SCHEMBL16564067 0.71 CYP11B1 (0.37) GSK3BGSK3ACDK5CDK5R1AOC2
SCHEMBL16990330 0.71 TDO2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP 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-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 AHR 335/4885CMA1 3250/4885MAOB 2763/4885

“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.