SCHEMBL6329430

SCHEMBL6329430

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
PRSS1 P07477 11/20 0.43
F2 P00734 9/20 0.43
ROCK2 O75116 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
Hydrochloric Acid SCHEMBL6324241 0.99 F10 (0.42) F10PRSS1F2ROCK2AURKA
SCHEMBL6324252 0.91 F10 (0.44) F10PRSS1F2AURKARPS6KB1
Hydrochloric Acid SCHEMBL6332656 0.89 F10 (0.38) F10PRSS1F2AURKARPS6KB1
SCHEMBL6330102 0.87 CDK1 (0.40) ROCK2
SCHEMBL8304367 0.80 F10 (0.46) F10PRSS1F2AURKARPS6KB1
SCHEMBL2998315 0.79 F10 (0.40) F10PRSS1F2AURKARPS6KB1
Hydrochloric Acid SCHEMBL6332068 0.79 F10 (0.46) F10PRSS1F2AURKARPS6KB1
SCHEMBL6325051 0.77 CDK1 (0.45)
SCHEMBL6326837 0.77 F10 (0.41) F10PRSS1F2
SCHEMBL8307162 0.73 PDE5A (0.39) F10PRSS1F2

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 F10 11/4885PRSS1 182/4885F2 2/4885

“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.