SCHEMBL22123254

SCHEMBL22123254

CNCCOn1nnc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
FAAH O00519 2/20 0.38
MGLL Q99685 2/20 0.38
HTR1B P28222 3/20 0.36
HTR1D P28221 1/20 0.36
BRD4 O60885 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL8448754 0.80 FAAH (0.47) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL22122950 0.77 SMN1; SMN2 (0.48) NPSR1RXFP1SMN1; SMN2LMNAALDH1A1
SCHEMBL28603641 0.75 MEN1 (0.44) FAAHMGLLSMN1; SMN2ALDH1A1NPC1
SCHEMBL798141 0.75 FAAH (0.41) FAAHMGLLBRD4TUBB4ATUBB
SCHEMBL25434842 0.74 FAAH (0.38) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL22678889 0.74 FAAH (0.36) FAAHMGLLBRD4SMN1; SMN2TUBB4A
SCHEMBL29444556 0.72 FAAH (0.36) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL12435588 0.72 FAAH (0.45) FAAHMGLLBRD4NPSR1SMN1; SMN2
SCHEMBL13488484 0.71 FAAH (0.39) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL15697618 0.71 FAAH (0.39) FAAHMGLLBRD4TSHRNPSR1

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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 CHRNB2 4855/4885CHRNA4 4817/4885FAAH 4625/4885

“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.