SCHEMBL1365085

SCHEMBL1365085

O=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2ccccc2)nc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.64
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
KDM1A O60341 2/20 0.47
WNT1 P04628 1/20 0.46
DYRK1A Q13627 1/20 0.46
SLC6A12 P48065 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43

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
SCHEMBL1367494 0.86 SLC6A12 (0.62) SLC6A12PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367082 0.85 HPGDS (0.78) HPGDSKDM1AWNT1DYRK1ASLC6A12
SCHEMBL1366750 0.83 CKS1B (0.47) HPGDSSLC6A12PRKAB2PRKAG1PRKAA2
SCHEMBL12141992 0.83 KMT2A (0.51) DYRK1APRKAA1CKS1BSKP1SKP2
SCHEMBL1367633 0.82 DRD4 (0.61) SLC6A12PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1364727 0.81 ADORA2A (0.49) PARP1WNT1DYRK1ACKS1BSKP1
SCHEMBL1366639 0.79 SLC6A12 (0.57) SLC6A12
SCHEMBL2071021 0.78 HPGDS (1.00) HPGDSKDM1ASLC6A12PRKAB2PRKAG1
SCHEMBL28259121 0.78 HPGDS (0.69) HPGDSKDM1ASLC6A12
SCHEMBL1366617 0.77 HPGDS (0.66) HPGDSPARP1PARP2KDM1AWNT1

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 99/4885PARP1 3388/4885PARP2 4299/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885PARP1 3388/4885PARP2 4299/4885

“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.