SCHEMBL13624090

SCHEMBL13624090

CC(C)(C)c1cc(Cl)nc2ccnn12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.61
KCNN3 Q9UGI6 14/20 0.46
KCNN1 Q92952 2/20 0.46
KCNN2 Q9H2S1 2/20 0.46
DGAT1 O75907 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL21754101 0.81 PDE10A (0.41) PDE10AKCNN3DGAT1CCNT1CDK9
SCHEMBL22932762 0.81 MEN1 (0.43) PDE10AKCNN3DGAT1CCNT1CDK9
SCHEMBL24408174 0.77 CCNT1 (0.51) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL22131142 0.77 PRKAB2 (0.46) PDE10AKCNN3KCNN1KCNN2DGAT1
SCHEMBL29344715 0.77 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CCNT1
SCHEMBL29869 0.76 PDE10A (1.00) PDE10AKCNN3KCNN1KCNN2
SCHEMBL1290450 0.73 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2
SCHEMBL30974 0.73 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2DGAT1
SCHEMBL12952976 0.72 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2DGAT1
SCHEMBL14242902 0.72 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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 (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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF PDE10A 3095/4885KCNN3 3917/4885KCNN1 3565/4885

“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.