SCHEMBL6330102

SCHEMBL6330102

CCOC(=O)CC(Nc1ncnc2cc(C(=O)N3CCSC3)ccc12)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.40
DPP4 P27487 3/20 0.39
DPP7 Q9UHL4 1/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAP4K2 Q12851 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.34
ELANE P08246 1/20 0.34
ROCK2 O75116 1/20 0.34
MAPK7 Q13164 1/20 0.34
CCR5 P51681 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL6325051 0.91 CDK1 (0.45) CDK1CCNCCDK8MAP4K2HASPIN
SCHEMBL6329430 0.87 F10 (0.43) ROCK2
Hydrochloric Acid SCHEMBL6324241 0.87 F10 (0.42) ROCK2
SCHEMBL6323108 0.79 CDK1 (0.44) CDK1
SCHEMBL6324252 0.77 F10 (0.44)
SCHEMBL6331457 0.72 ADORA2A (0.44) CCNCCDK8MAP4K2HASPINCDK19
SCHEMBL6331440 0.67 CDK1 (0.46) CDK1CCNCCDK8MAP4K2HASPIN
SCHEMBL2998315 0.67 F10 (0.40)
SCHEMBL6350201 0.66 ROCK2 (0.42) ROCK2
SCHEMBL8304367 0.66 F10 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 CDK1 170/4885DPP4 1545/4885DPP7 1680/4885

“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.