SCHEMBL3384906

SCHEMBL3384906

CN(C)CCOc1nc(C(N)c2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHRM2 P08172 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL2368980 0.88 LMNA (0.40) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL2368941 0.85 LMNA (0.43) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL2369259 0.83 LMNA (0.41) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL3383431 0.80 ALDH1A1 (0.44) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL3381246 0.79 LMNA (0.43) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL3387889 0.78 LMNA (0.50) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL3387596 0.78 LMNA (0.42) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL2368911 0.78 LMNA (0.45) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL2369496 0.77 MAPK1 (0.41) LMNASMN1; SMN2NPC1HPGDCASP3
SCHEMBL3384909 0.76 TNF (0.59) SMN1; SMN2ALDH1A1KDM4ERXFP1LCK

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 3 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
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 LMNA 1126/4885SMN1; SMN2 1520/4885NPC1 125/4885

“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.