SCHEMBL12623780

SCHEMBL12623780

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc4c(=O)n(C)cnc4cc3F)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.35
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ NAMPT P43490 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ ACVR1B P36896 1/20 0.30
▸ TGFBR1 P36897 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
SCHEMBL12623717 0.86 IP6K1 (0.35) ACVR1GRIN1GRIN2B
SCHEMBL12623895 0.86 HTT (0.36) GRIN1GRIN2BCYP2D6
SCHEMBL12623877 0.85 ACVR1 (0.33) ACVR1NAMPT
SCHEMBL12623779 0.84 ACVR1 (0.35) ACVR1GRIN1GRIN2B
SCHEMBL10257060 0.84 PPARG (0.35) GRIN1GRIN2B
SCHEMBL12624639 0.83 MAPT (0.40) BRD4
SCHEMBL12623598 0.83 PPARG (0.31) GRIN1GRIN2B
SCHEMBL12624016 0.81 NR1H2 (0.30) —
SCHEMBL12623799 0.81 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL12623594 0.81 GRIN1 (0.36) 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 ACVR1 3281/4885GRIN1 2621/4885GRIN2B 3099/4885

“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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