SCHEMBL1365616

SCHEMBL1365616

CC(=O)Nc1cccc(-c2ncc(C(=O)NC3CCN(Cc4ccccn4)CC3)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.58
PRKAA2 P54646 7/20 0.54
ACKR3 P25106 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1364502 0.90 DRD4 (0.61) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1367004 0.88 DRD4 (0.57) DRD4PRKAA2ACKR3SIGMAR1FGFR3
SCHEMBL1366251 0.86 DRD4 (0.63) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1367196 0.86 DRD4 (0.67) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1366874 0.85 DRD4 (0.62) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1364574 0.85 DRD4 (0.62) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1366591 0.85 DRD4 (0.59) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1366634 0.85 DRD4 (0.62) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1366632 0.85 DRD4 (0.61) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL1364455 0.83 DRD4 (0.59) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1

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 DRD4 4232/4885PRKAA2 3883/4885ACKR3 840/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885PRKAA2 3883/4885ACKR3 840/4885

“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.