SCHEMBL12623306

SCHEMBL12623306

CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(SC)c(C#N)cc1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 1/20 0.30

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
SCHEMBL12623328 0.88 PTGDR2 (0.31) —
SCHEMBL12623434 0.87 CFTR (0.36) CFTRPIK3R1PIK3CAFNTAFNTB
SCHEMBL12623144 0.86 PGR (0.35) PIK3R1PIK3CA
SCHEMBL12623086 0.85 PIK3R1 (0.37) CFTRPIK3R1PIK3CA
SCHEMBL12623729 0.85 PTGDR2 (0.31) —
SCHEMBL12623079 0.82 MAPT (0.37) PIK3R1PIK3CA
SCHEMBL12623070 0.82 TNIK (0.36) PIK3R1PIK3CA
SCHEMBL12622989 0.82 MAPT (0.41) —
SCHEMBL12623043 0.81 PTGDR2 (0.35) —
SCHEMBL12623041 0.81 PTGDR2 (0.33) —

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 CFTR 2137/4885PIK3R1 4629/4885PIK3CA 4762/4885

“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.

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