SCHEMBL6484258

SCHEMBL6484258

Cc1cc2nc(SCc3ccccn3)[nH]c2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.61
CYP2C9 P11712 7/20 0.61
CYP2E1 P05181 6/20 0.61
CYP2C8 P10632 6/20 0.61
CYP2D6 P10635 6/20 0.61
CYP2B6 P20813 6/20 0.61
CYP2C19 P33261 6/20 0.61
CYP3A4 P08684 6/20 0.61
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
NOS2 P35228 3/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL10583914 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL10928011 0.82 NOS2 (0.65) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL10582367 0.78 CYP1A2 (0.63) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL6483161 0.76 CYP1A2 (0.72) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL10541126 0.76 CYP1A2 (0.48) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL11685283 0.75 CYP1A2 (0.65) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL11687634 0.74 CYP1A2 (0.65) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL599673 0.74 CYP1A2 (1.00) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
SCHEMBL10926513 0.74 CYP1A2 (0.36) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6
Water SCHEMBL4488115 0.73 CYP1A2 (0.97) CYP1A2CYP2C9CYP2E1CYP2C8CYP2D6

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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0304732-A2 Substituted thienoimidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-01 EP claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
EP-0304732-A2 Substituted thienoimidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed
EP-0201094-A2 Thieno[2,3-d]imidazole derivatives and process for their preparation Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1986-12-17 EP 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 (1 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 CYP1A2 2281/4885CYP2C9 1120/4885CYP2E1 691/4885

“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.