SCHEMBL3386375

SCHEMBL3386375

COc1ccc(CCNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 4/20 0.59
HTT P42858 4/20 0.59
NPC1 O15118 2/20 0.59
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
RAB9A P51151 2/20 0.59
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
FGFR1 P11362 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.53

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
SCHEMBL2369016 0.82 ATM (0.68) SMN1; SMN2LMNAHTTRAB9AATM
SCHEMBL3170293 0.81 CCNC (0.63) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL13165084 0.77 NR2F2 (0.67) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL2368861 0.76 ATM (0.62) SMN1; SMN2LMNAHTTRAB9AATM
SCHEMBL13431476 0.75 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL3339911 0.75 TNF (0.65) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL17456981 0.75 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL3964260 0.74 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTNPC1GALR3
SCHEMBL2369595 0.74 MAPK1 (0.63) SMN1; SMN2LMNAHTTATML3MBTL1
SCHEMBL5435779 0.74 NPC1 (0.98) SMN1; SMN2LMNAHTTNPC1GALR3

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 SMN1; SMN2 1520/4885LMNA 1126/4885HTT 543/4885

“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.