SCHEMBL1874036

SCHEMBL1874036

Cc1cnc(C(=O)NN)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 1/20 0.54
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
BLM P54132 1/20 0.53
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51
P2RX7 Q99572 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL31377918 0.87 P2RX7 (0.52) ALDH1A1GAAPOLBL3MBTL1KDM4E
SCHEMBL2216041 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL1663474 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL30874242 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL26048300 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL753759 0.80 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL6429451 0.79 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10205813 0.78 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL1020342 0.78 KDM4E (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10603927 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP disclosed
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-15 US disclosed
US-9040534-B2 [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-20140275096-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
US-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 WO 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 (6 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-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 NPC1 1920/4885RAB9A 1442/4885SMN1; SMN2 4173/4885
US-20140275096-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX2 NPC1 716/4885RAB9A 3325/4885SMN1; SMN2 4265/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 NPC1 1220/4885RAB9A 1114/4885SMN1; SMN2 902/4885
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS P2RX7, P2RX5, P2RX2 NPC1 1160/4885RAB9A 3771/4885SMN1; SMN2 4396/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 NPC1 1362/4885RAB9A 1781/4885SMN1; SMN2 503/4885
US-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 NPC1 2644/4885RAB9A 3811/4885SMN1; SMN2 3659/4885

“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.