SCHEMBL4560384

SCHEMBL4560384

CCCCCc1cnc(N)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.44
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
FBP1 P09467 1/20 0.34

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
SCHEMBL6431838 0.86
SCHEMBL2062290 0.82 PPARA (0.36) TLR7TLR8KDM4ERAB9AALDH1A1
SCHEMBL11646525 0.81 TLR7 (0.36) TLR7TLR8KDM4ERAB9AALDH1A1
SCHEMBL5538019 0.78 TDP1 (0.35) TLR7TLR8KDM4ERAB9AALDH1A1
SCHEMBL5539508 0.78 TLR7 (0.33) TLR7TLR8MAPTTDP1L3MBTL1
SCHEMBL6431266 0.77
SCHEMBL5538016 0.77 TDP1 (0.34) TLR7TLR8KDM4ERAB9AALDH1A1
SCHEMBL1520366 0.77 TDP1 (0.34) TLR7TLR8KDM4ERAB9AALDH1A1
SCHEMBL3733911 0.77 SIRT2 (0.37) TLR7TLR8MAPTTDP1L3MBTL1
SCHEMBL5536581 0.77 MAPT (0.37) TLR7KDM4ERAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239860-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-10-27 US claimed
EP-1432687-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-06-30 EP claimed
WO-2003093242-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-11-13 WO claimed
US-20030162776-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-08-28 US claimed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-7105559-B2 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-09-12 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
US-20050239860-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-10-27 US disclosed
WO-2005097113-A2 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-10-20 WO disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
WO-2005016338-A1 USE OF 5-HT2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-24 WO disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
EP-1432687-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-06-30 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003093242-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-11-13 WO disclosed
US-20030162776-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-08-28 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
CN-1126208-A 2-amido-5-aryl-1,3,4-oxdiazole compound, its synthesis and application HUADONG SCIENCE & ENGINEERING (CN) 1996-07-10 CN 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 (5 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B TLR7 1328/4885TLR8 2635/4885KDM4E 2758/4885
US-20030162776-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, SERPINC1 TLR7 3696/4885TLR8 3457/4885KDM4E 2216/4885
US-20050239860-A1 Substituted 5-membered polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, SERPINC1 TLR7 3696/4885TLR8 3457/4885KDM4E 2216/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B TLR7 490/4885TLR8 1709/4885KDM4E 3337/4885
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG TLR7 4001/4885TLR8 3175/4885KDM4E 2769/4885

“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.