SCHEMBL2073964

SCHEMBL2073964

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.78
PRKAB2 O43741 3/20 0.78
PRKAG1 P54619 3/20 0.78
PRKAA1 Q13131 3/20 0.78
PRKAG3 Q9UGI9 3/20 0.78
PRKAG2 Q9UGJ0 3/20 0.78
PRKAB1 Q9Y478 3/20 0.78
HPGDS O60760 1/20 0.74
TMEM97 Q5BJF2 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
SLC6A12 P48065 2/20 0.65
MCHR1 Q99705 1/20 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

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
SCHEMBL2070563 0.93 SIGMAR1 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13610005 0.90 HPGDS (0.75) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366534 0.87 PRKAA2 (0.75) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519372 0.87 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2070573 0.87 HPGDS (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14082188 0.86 SIGMAR1 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13450274 0.85 PRKAA2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14190118 0.85 HPGDS (0.71) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2071021 0.85 HPGDS (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7218186 0.85 DRD4 (0.86) 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 7 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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 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-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK PRKAA2 1504/4885PRKAB2 1121/4885PRKAG1 1256/4885
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

“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.