Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5846083

N.NCCCc1ccnc(N)n1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
HRH4 Q9H3N8 2/20 0.44
HRH1 P35367 4/20 0.42
PDPK1 O15530 2/20 0.42
NUDT1 P36639 3/20 0.38
TLR8 Q9NR97 1/20 0.38
AURKA O14965 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PRKACA P17612 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP2A6 P11509 1/20 0.35
GRM4 Q14833 1/20 0.33

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
SCHEMBL28749703 0.98 HRH3 (0.51) HRH3HRH4HRH1PDPK1NUDT1
SCHEMBL12514073 0.81 TLR8 (0.53) HRH3HRH4PDPK1NUDT1TLR8
SCHEMBL3248683 0.79 KCNH2 (0.53) HRH3HRH4PDPK1NUDT1TLR8
SCHEMBL5749599 0.78 KCNH2 (0.56) HRH3HRH4PDPK1TLR8
SCHEMBL14043611 0.78 KCNH2 (0.56) HRH3HRH4PDPK1TLR8
SCHEMBL5748930 0.78 KCNH2 (0.56) HRH3HRH4PDPK1TLR8
SCHEMBL5748502 0.78 KCNH2 (0.56) HRH3HRH4PDPK1TLR8
SCHEMBL17379406 0.77
SCHEMBL31228137 0.76 NUDT1 (0.47) HRH3HRH4NUDT1TLR8AURKA
SCHEMBL8127847 0.76 HRH4 (0.42) HRH3HRH4NUDT1TLR8AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
EP-1586565-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade Pharmacia Corporation (US) 2005-10-19 EP disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
EP-1202975-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORP (US) 2005-04-06 EP disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-05-27 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 US disclosed
US-6664255-B1 1-alkylamido-3-amino substituted; inhibiting serine proteases PHARMACIA CORPORATION 2003-12-16 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
EP-1202975-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-05-08 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 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 (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-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HRH3 1233/4885HRH4 878/4885HRH1 1257/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HRH3 851/4885HRH4 605/4885HRH1 853/4885
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 HRH3 1037/4885HRH4 1229/4885HRH1 1034/4885

“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.