SCHEMBL2369595

SCHEMBL2369595

c1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
TNF P01375 1/20 0.63
NOD1 Q9Y239 1/20 0.63
LMNA P02545 4/20 0.62
HTT P42858 3/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
CCNC P24863 1/20 0.61
CDK8 P49336 1/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
PIP4K2C Q8TBX8 1/20 0.59
ESR1 P03372 1/20 0.57
FGFR1 P11362 5/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL2368567 0.92 LMNA (0.61) MAPK1TNFNOD1LMNAHTT
SCHEMBL2369016 0.92 ATM (0.68) MAPK1TNFNOD1LMNAHTT
SCHEMBL1902694 0.92 ESR1 (0.61) MAPK1TNFNOD1LMNAHTT
SCHEMBL2369277 0.87 CCNC (0.78) MAPK1TNFNOD1LMNAHTT
SCHEMBL3169227 0.86 MAPK1 (0.65) MAPK1TNFNOD1LMNAHTT
SCHEMBL2369091 0.85 SMN1; SMN2 (0.64) MAPK1TNFNOD1LMNAHTT
SCHEMBL3381256 0.85 LMNA (0.61) MAPK1TNFNOD1LMNAHTT
SCHEMBL2369266 0.85 MAPK1 (0.79) MAPK1TNFNOD1LMNAHTT
SCHEMBL2368203 0.84 ALDH1A1 (0.69) MAPK1TNFNOD1LMNAHTT
SCHEMBL1899788 0.84 ALDH1A1 (0.72) MAPK1TNFNOD1LMNAHTT

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-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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 (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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 MAPK1 667/4885TNF 2689/4885NOD1 2052/4885
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 MAPK1 3238/4885TNF 1616/4885NOD1 1184/4885

“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.