SCHEMBL12623799

SCHEMBL12623799

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc4c(=O)[nH]c(=O)[nH]c4cc3F)c2cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 6/20 0.32
▸ GRIN2B Q13224 6/20 0.32
▸ CYP2C8 P10632 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ PARP1 P09874 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
SCHEMBL12623779 0.86 ACVR1 (0.35) GRIN1GRIN2BCYP2C8PARP1
SCHEMBL12655426 0.85 GRIN1 (0.31) GRIN1GRIN2B
SCHEMBL12623717 0.84 IP6K1 (0.35) GRIN1GRIN2BCYP2C8PIM1PIM2
SCHEMBL12623886 0.83 AURKA (0.32) —
SCHEMBL10257060 0.83 PPARG (0.35) GRIN1GRIN2B
SCHEMBL12624639 0.83 MAPT (0.40) —
SCHEMBL12623890 0.82 — —
SCHEMBL12623598 0.82 PPARG (0.31) GRIN1GRIN2BCYP2C8
SCHEMBL12623895 0.82 HTT (0.36) GRIN1GRIN2B
SCHEMBL12623780 0.81 ACVR1 (0.35) GRIN1GRIN2B

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 GRIN1 2621/4885GRIN2B 3099/4885CYP2C8 1761/4885

“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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