SCHEMBL20543718

SCHEMBL20543718

O=C(O)[C@H](Cc1ccccc1)Nc1cnc(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 9/20 0.57
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
MMP2 P08253 4/20 0.44
MME P08473 4/20 0.44
MMP9 P14780 3/20 0.44
ADAMTS4 O75173 1/20 0.44
WNT3A P56704 1/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL20543715 1.00 TPH1 (0.57) TPH1ITGB1ITGA4MMP2MME
SCHEMBL29416412 0.84 TPH1 (0.49) TPH1WNT3A
SCHEMBL29606917 0.84 TPH1 (0.47) TPH1WNT3A
SCHEMBL3932153 0.79 PSMB5 (0.61) ITGB1ITGA4MME
SCHEMBL3932148 0.79 PSMB5 (0.61) ITGB1ITGA4MME
SCHEMBL27940736 0.78 TPH1 (0.42) TPH1MMEWNT3AACECPA1
SCHEMBL5939834 0.77 L3MBTL1 (0.59) ITGB1MME
SCHEMBL5939842 0.77 L3MBTL1 (0.59) ITGB1MME
SCHEMBL20543744 0.76 MEN1 (0.48) ITGB1ITGA4
SCHEMBL20543745 0.76 MEN1 (0.48) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197923-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2024-06-20 US disclosed
US-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins INSTITUT PASTEUR (FR) 2024-03-26 US disclosed
EP-3615516-B1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS PASTEUR INSTITUT (FR) 2021-11-17 EP disclosed
US-20200129644-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2020-04-30 US disclosed
EP-3615516-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS Institut Pasteur (FR) 2020-03-04 EP disclosed
WO-2018197727-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2018-11-01 WO disclosed
EP-3395803-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS Institut Pasteur (FR) 2018-10-31 EP 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 (3 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-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins NISCH, HLCS, CYP3A5 TPH1 3093/4885ITGB1 4637/4885ITGA4 4632/4885
US-20200129644-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 TPH1 3093/4885ITGB1 4637/4885ITGA4 4632/4885
US-20240197923-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 TPH1 3093/4885ITGB1 4637/4885ITGA4 4632/4885

“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.