SCHEMBL3387615

SCHEMBL3387615

CN1CCN(c2nc(NCc3ccccn3)c3c(-c4ccccc4)csc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.59
NOD1 Q9Y239 2/20 0.59
MAPK1 P28482 1/20 0.59
PIP4K2C Q8TBX8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 5/20 0.46
ESR1 P03372 3/20 0.46
LMNA P02545 1/20 0.45
KCNA5 P22460 4/20 0.44
JAK2 O60674 1/20 0.44
IGF1R P08069 1/20 0.44
PIM1 P11309 1/20 0.44
SRC P12931 1/20 0.44
CSNK2A2 P19784 1/20 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
SCHEMBL2368519 0.89 TNF (0.59) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL2369183 0.85 TNF (0.56) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL3387496 0.82 CSNK1D (0.51) TNFNOD1MAPK1PIP4K2CKDM4E
SCHEMBL2368545 0.81 TNF (0.70) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL12817292 0.80 TNF (0.52) TNFNOD1MAPK1PIP4K2CKDM4E
SCHEMBL12817304 0.80 TNF (0.52) TNFNOD1MAPK1PIP4K2CKDM4E
SCHEMBL15893245 0.80 TNF (0.52) TNFNOD1MAPK1PIP4K2CKDM4E
SCHEMBL12818588 0.80 TNF (0.52) TNFNOD1MAPK1PIP4K2CKDM4E
SCHEMBL6360281 0.80 TNF (0.49) TNFNOD1MAPK1PIP4K2CSMN1; SMN2
SCHEMBL23598964 0.79 ESR1 (0.50) KDM4ENPSR1SMN1; SMN2ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN 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 (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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 TNF 2689/4885NOD1 2052/4885MAPK1 667/4885

“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.