SCHEMBL2006785

SCHEMBL2006785

CC1CN(c2nc(Cc3ccc(Cl)cc3)ns2)C(C)CN1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.35
CETP P11597 2/20 0.35
HTR6 P50406 2/20 0.34
PIM1 P11309 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
XIAP P98170 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
WEE1 P30291 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL2006211 0.89 SIGMAR1 (0.38) PRKCIHTR6PIM1SIGMAR1XIAP
SCHEMBL2006358 0.88 SIGMAR1 (0.43) PRKCIHTR6PIM1SIGMAR1XIAP
SCHEMBL2012429 0.87 HTR6 (0.36) PRKCIHTR6PIM1XIAP
SCHEMBL2010491 0.84 PRKCI (0.35) PRKCIPIM1SIGMAR1
SCHEMBL2012804 0.81 CETP (0.44) PRKCICETPHTR6HTR2CHTR2B
SCHEMBL2004679 0.81 HTR6 (0.38) PRKCIHTR6PIM1SIGMAR1HTR2C
SCHEMBL2008339 0.81 HTR6 (0.39) HTR6SIGMAR1XIAPHTR2CHTR2B
SCHEMBL2011864 0.79 HTR1B (0.42) HTR6XIAP
SCHEMBL2008512 0.79 HTR2C (0.36) PRKCIHTR6PIM1SIGMAR1HTR2C
SCHEMBL2012276 0.78 HTR6 (0.36) PRKCIHTR6PIM1SIGMAR1XIAP

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 PRKCI 2188/4885CETP 4201/4885HTR6 2082/4885

“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.