SCHEMBL10069925

SCHEMBL10069925

CCCCOc1c(C(=O)OC)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc(N3CCOCC3C)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 14/20 0.38
PIK3CA P42336 14/20 0.38
PDE4B Q07343 1/20 0.38
PDE7A Q13946 1/20 0.38
MTOR P42345 1/20 0.36
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
ENPP2 Q13822 2/20 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
SCHEMBL369174 0.90 LRRK2 (0.39) PIK3R1PIK3CAPDE4BPDE7AMTOR
SCHEMBL10070065 0.89 PDE4B (0.39) PIK3R1PIK3CAPDE4BPDE7AMTOR
SCHEMBL15101630 0.88 ENPP2 (0.36) PIK3R1PIK3CAPDE4BPDE7AMTOR
SCHEMBL10069876 0.86 PDE4B (0.40) PDE4BPDE7AENPP2
SCHEMBL10069923 0.86 PDE4B (0.41) PDE4BPDE7AATRENPP2
SCHEMBL10071000 0.85 PDE4B (0.41) PDE4BPDE7AENPP2
SCHEMBL15101649 0.84 PDE4B (0.39) PDE4BPDE7AENPP2
SCHEMBL10069920 0.83 PDE4B (0.40) PDE4BPDE7AENPP2
SCHEMBL10069924 0.82 PDE4B (0.39) PDE4BPDE7AENPP2
SCHEMBL10070417 0.81 HDAC6 (0.36) PIK3CAMTORATRATRIP

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 PIK3R1 2320/4885PIK3CA 1532/4885PDE4B 209/4885

“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.