SCHEMBL1366918

SCHEMBL1366918

O=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.65
KDM1A O60341 2/20 0.54
DRD4 P21917 2/20 0.52
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ALDH1A1 P00352 1/20 0.48
WNT1 P04628 1/20 0.48
DYRK1A Q13627 1/20 0.48
PAK1 Q13153 1/20 0.48

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
SCHEMBL1366617 0.89 HPGDS (0.66) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL347916 0.89 HPGDS (0.80) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1367370 0.88 HPGDS (0.65) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1367082 0.87 HPGDS (0.78) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL1365857 0.87 HPGDS (0.64) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL1365993 0.87 HPGDS (0.66) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1365097 0.85 HPGDS (0.68) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1364882 0.85 HPGDS (0.61) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL1367173 0.85 HPGDS (0.68) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1364494 0.85 HPGDS (0.61) HPGDSKDM1AROCK2ROCK1WNT1

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885KDM1A 2416/4885DRD4 4232/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885KDM1A 2416/4885DRD4 4232/4885

“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.