SCHEMBL12569321

SCHEMBL12569321

COc1ccc(C(=O)N2CCN(c3nc(Cc4ccc(C)cc4)ns3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CDK1 P06493 2/20 0.49
IGF1R P08069 2/20 0.49
FGFR1 P11362 2/20 0.49
BRAF P15056 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
JAK1 P23458 2/20 0.49
CDK2 P24941 2/20 0.49
AXL P30530 2/20 0.49
CDK5 Q00535 2/20 0.49
PTK2B Q14289 2/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2007077 0.89 CNR1 (0.54) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2006512 0.88 CNR1 (0.53) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2007080 0.88 LMNA (0.57) CNR1CDK1IGF1RFGFR1BRAF
SCHEMBL2007046 0.88 CNR1 (0.53) CNR1MEN1KMT2ASMN1; SMN2SLC6A7
SCHEMBL2009579 0.88 CNR1 (0.53) CNR1MEN1KMT2ASMN1; SMN2SLC6A7
SCHEMBL2004347 0.87 CNR1 (0.57) CNR1CDK1IGF1RFGFR1BRAF
SCHEMBL3059814 0.86 CNR1 (0.55) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2006710 0.86 ALDH1A1 (0.51) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL2009783 0.86 CNR1 (0.51) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2003773 0.85 CNR1 (0.51) CNR1ALDH1A1LMNAMAPTSLC6A7

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 12 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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 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
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 (4 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 CNR1 3782/4885CDK1 2719/4885IGF1R 2666/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CDK1 2719/4885IGF1R 2666/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CDK1 2719/4885IGF1R 2666/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CNR1 3094/4885CDK1 1294/4885IGF1R 4270/4885

“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.