SCHEMBL1366534

SCHEMBL1366534

O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.75
PRKAB2 O43741 3/20 0.75
PRKAG1 P54619 3/20 0.75
PRKAA1 Q13131 3/20 0.75
PRKAG3 Q9UGI9 3/20 0.75
PRKAG2 Q9UGJ0 3/20 0.75
PRKAB1 Q9Y478 3/20 0.75
SIGMAR1 Q99720 3/20 0.65
TMEM97 Q5BJF2 2/20 0.65
SLC6A12 P48065 2/20 0.65
MCHR1 Q99705 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
DRD4 P21917 2/20 0.64
DRD2 P14416 1/20 0.64

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
SCHEMBL10251883 0.91 CXCR4 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2073964 0.87 PRKAA2 (0.78) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1367196 0.86 DRD4 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519372 0.86 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7218186 0.85 DRD4 (0.86) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366727 0.85 CARM1 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL694949 0.85 SIGMAR1 (0.82) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1367494 0.85 SLC6A12 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366388 0.84 POLB (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10248277 0.84 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 WO 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 (3 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 PRKAA2 3883/4885PRKAB2 4386/4885PRKAG1 4286/4885
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS PRKAA2 1240/4885PRKAB2 2202/4885PRKAG1 1170/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S PRKAA2 3883/4885PRKAB2 4386/4885PRKAG1 4286/4885

“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.