SCHEMBL831774

SCHEMBL831774

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc(C#N)ccc3F)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 5/20 0.35
▸ PIK3CA P42336 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ GPR6 P46095 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ SRC P12931 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ PKM P14618 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
SCHEMBL12623009 0.90 PIK3R1 (0.38) PIK3R1PIK3CAALDH1A1POLBKMT2A
SCHEMBL10257060 0.89 PPARG (0.35) PPARGPTGDR2PKM
SCHEMBL12623086 0.87 PIK3R1 (0.37) PIK3R1PIK3CAPTGDR2GPR6HCRTR1
SCHEMBL12624639 0.87 MAPT (0.40) ALDH1A1POLBKMT2APKM
SCHEMBL12623273 0.85 PTGDR2 (0.35) PIK3R1PIK3CAPTGDR2GPR6HCRTR1
SCHEMBL832063 0.85 PPARG (0.32) ALDH1A1PPARG
SCHEMBL12623576 0.85 PPARG (0.33) PPARG
SCHEMBL12623328 0.85 PTGDR2 (0.31) PTGDR2
SCHEMBL12623729 0.85 PTGDR2 (0.31) PTGDR2
SCHEMBL12623598 0.84 PPARG (0.31) PPARGPTGDR2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — 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
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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — US disclosed
CN-101842376-A Tetracyclic indole derivatives and being used for the treatment of or prophylaxis of viral infections SCHERING CORP 2010-09-22 — — CN disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 — — EP disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — 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 (2 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 PIK3R1 4629/4885PIK3CA 4762/4885ALDH1A1 2482/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PIK3R1 4764/4885PIK3CA 4484/4885ALDH1A1 1792/4885

“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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