SCHEMBL1021399

SCHEMBL1021399

Cc1ccc(Cc2nsc(NCCCCN)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
AURKA O14965 1/20 0.38
JAK1 P23458 1/20 0.38
KDR P35968 1/20 0.38
KCNH2 Q12809 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AURKB Q96GD4 1/20 0.38
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR6 P50406 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1020759 0.99 SYK (0.37) SYKAURKAJAK1KDRKCNH2
SCHEMBL1022485 0.99 SYK (0.37) SYKAURKAJAK1KDRKCNH2
SCHEMBL1020945 0.96 SYK (0.36) SYKAURKAJAK1KDRKCNH2
SCHEMBL1024188 0.91 SMN1; SMN2 (0.37) SYKAURKBTLR8TLR7NPC1
SCHEMBL1019542 0.87 STK17A (0.40) NPC1RAB9ACYP1A2ALDH1A1LMNA
SCHEMBL1021808 0.87 ALDH1A1 (0.35) SYKTLR8TLR7HTR6TAAR1
SCHEMBL1021459 0.86 MAOA (0.38)
SCHEMBL1020487 0.86 NPC1 (0.37) NPC1RAB9AHTR6LTA4HMEN1
SCHEMBL1022872 0.86 MAPT (0.41) SYKTLR8TLR7NPC1RAB9A
SCHEMBL1021252 0.86 STK17A (0.39) NPC1RAB9A

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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP SYK 4764/4885AURKA 3601/4885JAK1 793/4885

“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.