SCHEMBL3383452

SCHEMBL3383452

Cc1cccc(CNc2ncnc3scc(-c4ccccc4)c23)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.72
TNF P01375 2/20 0.72
NOD1 Q9Y239 2/20 0.72
CCNC P24863 1/20 0.61
CDK8 P49336 1/20 0.61
PIP4K2C Q8TBX8 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 5/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
FGFR1 P11362 5/20 0.50

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
SCHEMBL2369019 0.84 MAPK1 (1.00) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2368773 0.83 ESR1 (0.70) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2368872 0.82 MAPK1 (0.71) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369229 0.81 ESR1 (0.49) MAPK1TNFNOD1CCNCCDK8
SCHEMBL6363419 0.81 ESR1 (0.49) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369277 0.81 CCNC (0.78) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2368753 0.80 ESR1 (0.48) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369288 0.80 ESR1 (0.48) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369027 0.80 FGFR1 (0.54) MAPK1TNFNOD1SMN1; SMN2ALDH1A1
SCHEMBL2368708 0.80 TNF (0.83) MAPK1TNFNOD1CCNCCDK8

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 4 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
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US 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 MAPK1 667/4885TNF 2689/4885NOD1 2052/4885

“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.