SCHEMBL12623895

SCHEMBL12623895

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc4c(=O)n(C)c(=O)n(C)c4cc3F)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE1A P54750 2/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ PDE1C Q14123 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ PARG Q86W56 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL12623780 0.86 ACVR1 (0.35) GRIN1GRIN2BCYP2D6
SCHEMBL10257060 0.84 PPARG (0.35) KDM4ETSHRGRIN1GRIN2BSMN1; SMN2
SCHEMBL12624639 0.84 MAPT (0.40) HTTLMNAKDM4ETSHRMAPK1
SCHEMBL12623598 0.84 PPARG (0.31) LMNAKDM4ETSHRHSD17B10GRIN1
SCHEMBL12624045 0.82 PPARG (0.31) TP53RXFP1MAPT
SCHEMBL12623799 0.82 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL12623717 0.82 IP6K1 (0.35) GRIN1GRIN2B
SCHEMBL12623594 0.81 GRIN1 (0.36) KDM4EGRIN1GRIN2BPKMPARG
SCHEMBL12623779 0.81 ACVR1 (0.35) KDM4EGRIN1GRIN2BSMN1; SMN2MAPT
SCHEMBL12655426 0.81 GRIN1 (0.31) 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 HTT 71/4885LMNA 2851/4885KDM4E 2071/4885

“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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