SCHEMBL15979006

SCHEMBL15979006

C#Cc1cnc2ccc(OC)nc2c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
MTOR P42345 2/20 0.32
MAP4K4 O95819 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PIK3CA P42336 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
SCHEMBL15979007 0.80 PDE10A (0.36) EGFRMAP4K4PDE10APDGFRBPDGFRA
SCHEMBL15979011 0.80 PDGFRB (0.39) EGFRMTORMAP4K4PDE10APDGFRB
SCHEMBL15979009 0.78 KCNH2 (0.39) EGFRMAP4K4KCNH2
SCHEMBL14372220 0.78 PDE10A (0.36) EGFRMAP4K4KCNH2PDE10A
SCHEMBL3154945 0.75 EGFR (0.36) EGFRMAP4K4KCNH2PDE10A
SCHEMBL14372223 0.72 CSF1R (0.34) MAP4K4KCNH2PDE10APDGFRBPDGFRA
SCHEMBL20687532 0.72 PDGFRB (0.34) MAP4K4KCNH2PDGFRBPDGFRAPIK3CA
SCHEMBL4298144 0.70 KCNH2 (0.41) KCNH2
SCHEMBL14361196 0.70 SRC (0.39) EGFRMAP4K4KCNH2PDE10A
SCHEMBL22013370 0.69 KCNH2 (0.38) EGFRMAP4K4KCNH2

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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD EGFR 3139/4885MTOR 2258/4885MAP4K4 1693/4885

“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.