SCHEMBL3386602

SCHEMBL3386602

CC(C)(C)c1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.78
NOD1 Q9Y239 2/20 0.78
MAPK1 P28482 1/20 0.78
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
POLB P06746 1/20 0.64
PKM P14618 1/20 0.64
PIP4K2C Q8TBX8 2/20 0.63
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
HTT P42858 3/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 1/20 0.45
MAPT P10636 2/20 0.45
EGFR P00533 2/20 0.45

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
SCHEMBL2368816 0.90 TNF (0.78) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368708 0.88 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369019 0.88 MAPK1 (1.00) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3387956 0.86 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368569 0.86 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369055 0.85 MAPK1 (0.78) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3386302 0.85 TNF (0.78) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3381243 0.83 TNF (0.74) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3387109 0.83 TNF (0.74) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368920 0.83 TNF (0.74) TNFNOD1MAPK1SMN1; SMN2ALDH1A1

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 5 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
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.