SCHEMBL2012276

SCHEMBL2012276

CC1CN(c2nc(Cc3ccccc3F)ns2)C(C)CN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33
XIAP P98170 3/20 0.33
BIRC2 Q13490 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIM1 P11309 5/20 0.33
PIM2 Q9P1W9 4/20 0.33
PRKCI P41743 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL2008512 0.88 HTR2C (0.36) HTR6SIGMAR1HTR2CHTR2BHDAC1
SCHEMBL2004244 0.85 HTR6 (0.39) HTR6SIGMAR1HTR2CPIM1PRKCI
SCHEMBL2006358 0.84 SIGMAR1 (0.43) HTR6SIGMAR1HTR2CHTR2BHDAC1
SCHEMBL2006211 0.82 SIGMAR1 (0.38) HTR6SIGMAR1HTR2CHTR2BXIAP
SCHEMBL2007117 0.82 HTR6 (0.40) HTR6HTR2CHTR2BPOLBHDAC1
SCHEMBL2008339 0.81 HTR6 (0.39) HTR6SIGMAR1HTR2CHTR2BXIAP
SCHEMBL2010491 0.80 PRKCI (0.35) SIGMAR1PIM1PRKCI
SCHEMBL2006785 0.78 PRKCI (0.35) HTR6SIGMAR1HTR2CHTR2BXIAP
SCHEMBL2004679 0.77 HTR6 (0.38) HTR6SIGMAR1HTR2CHTR2BPIM1
SCHEMBL2012429 0.76 HTR6 (0.36) HTR6XIAPBIRC2PIM1PRKCI

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 HTR6 2082/4885SIGMAR1 1998/4885HTR2C 1846/4885

“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.