SCHEMBL1367082

SCHEMBL1367082

O=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.78
KDM1A O60341 2/20 0.54
PRKAB2 O43741 2/20 0.54
PRKAG1 P54619 2/20 0.54
PRKAA2 P54646 2/20 0.54
PRKAA1 Q13131 2/20 0.54
PRKAG3 Q9UGI9 2/20 0.54
PRKAG2 Q9UGJ0 2/20 0.54
PRKAB1 Q9Y478 2/20 0.54
WNT1 P04628 1/20 0.50
DYRK1A Q13627 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
SLC6A12 P48065 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
MCHR1 Q99705 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 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
SCHEMBL347916 0.88 HPGDS (0.80) HPGDSKDM1AWNT1DYRK1AROCK2
SCHEMBL1366617 0.88 HPGDS (0.66) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL2071021 0.88 HPGDS (1.00) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL1366918 0.87 HPGDS (0.65) HPGDSKDM1AWNT1DYRK1AROCK2
SCHEMBL1367370 0.87 HPGDS (0.65) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL1365993 0.87 HPGDS (0.66) HPGDSKDM1AWNT1DYRK1AROCK2
SCHEMBL1365857 0.87 HPGDS (0.64) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL1367026 0.86 HPGDS (0.65) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL1367299 0.86 HPGDS (0.65) HPGDSKDM1APRKAB2PRKAG1PRKAA2
SCHEMBL28259121 0.85 HPGDS (0.69) HPGDSKDM1ASLC6A12TMEM97MCHR1

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 2416/4885PRKAB2 4386/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885KDM1A 2416/4885PRKAB2 4386/4885

“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.