SCHEMBL862201

SCHEMBL862201

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP2C8 P10632 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ ROCK2 O75116 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CCKAR P32238 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL10257060 0.88 PPARG (0.35) PPARGPTGDR2KDM4ETSHR
SCHEMBL12623152 0.87 NPC1 (0.35) PPARGPTGDR2JAK2JAK1TYK2
SCHEMBL12623674 0.87 PPARG (0.32) PPARGPTGDR2CYP2C8
SCHEMBL12623684 0.87 PPARG (0.32) PPARGPTGDR2CYP2C8KDM4E
SCHEMBL12624639 0.86 MAPT (0.40) NPC1KDM4ETSHRALDH1A1KMT2A
SCHEMBL12623400 0.85 MAP2K4 (0.36) PPARGPTGDR2JAK2JAK1TYK2
SCHEMBL12623813 0.85 PPARG (0.31) PPARGCYP2C8
SCHEMBL12623576 0.84 PPARG (0.33) PPARG
SCHEMBL831774 0.84 PIK3R1 (0.35) PPARGPTGDR2JAK2JAK3ALDH1A1
SCHEMBL12623598 0.84 PPARG (0.31) PPARGPTGDR2CYP2C8KDM4ETSHR

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 3 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-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

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 PPARG 3860/4885PTGDR2 2993/4885JAK2 749/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PPARG 4093/4885PTGDR2 1609/4885JAK2 358/4885

“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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