SCHEMBL2006358

SCHEMBL2006358

CC1CN(c2nc(Cc3ccccc3)ns2)C(C)CN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
PIM1 P11309 1/20 0.34
PRKCI P41743 1/20 0.34
HTR1A P08908 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
HTR6 P50406 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 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
SCHEMBL2006785 0.88 PRKCI (0.35) SIGMAR1PIM1PRKCIHTR2CHTR2B
SCHEMBL2006211 0.88 SIGMAR1 (0.38) SIGMAR1PIM1PRKCIHTR2CHTR2B
SCHEMBL2004679 0.88 HTR6 (0.38) SIGMAR1PIM1PRKCIHTR1AHTR1D
SCHEMBL2008339 0.87 HTR6 (0.39) SIGMAR1HTR1AHTR1DHTR1BHTR2C
SCHEMBL2012429 0.86 HTR6 (0.36) PIM1PRKCIHTR6XIAPBIRC2
SCHEMBL2008512 0.85 HTR2C (0.36) SIGMAR1PIM1PRKCIHTR2CHTR2A
SCHEMBL2011864 0.85 HTR1B (0.42) HTR1BHTR6XIAPBIRC2
SCHEMBL2012276 0.84 HTR6 (0.36) SIGMAR1PIM1PRKCIHTR2CHTR2A
SCHEMBL2004244 0.82 HTR6 (0.39) SIGMAR1PIM1PRKCIHTR1AHTR1D
SCHEMBL2010491 0.82 PRKCI (0.35) SIGMAR1PIM1PRKCI

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP SIGMAR1 1998/4885PIM1 2610/4885PRKCI 2188/4885

“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.