SCHEMBL3063111

SCHEMBL3063111

Nc1ncnc(Sc2ccccc2)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 3/20 0.42
PI4KA P42356 3/20 0.38
PI4K2B Q8TCG2 3/20 0.38
PI4K2A Q9BTU6 3/20 0.38
PI4KB Q9UBF8 3/20 0.38
PTPN11 Q06124 1/20 0.37
MAP4K4 O95819 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 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
SCHEMBL5244234 0.90 LMNA (0.56) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21611531 0.78 MAPT (0.46) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5246745 0.71 LMNA (0.58) LMNAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5247221 0.71 NR1H2 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5246815 0.71 LMNA (0.58) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL796397 0.68 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL191691 0.68 CDC7 (0.61) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL21611457 0.67 PNP (0.49) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5132695 0.67 LMNA (0.48) LMNAMAPTSMN1; SMN2ALDH1A1PI4KA
SCHEMBL11749396 0.67 SMN1; SMN2 (0.43) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885SMN1; SMN2 4/4885

“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.