SCHEMBL29954865

SCHEMBL29954865

COc1ccc(B(O)O)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
ALDH1A1 P00352 5/20 0.41

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
SCHEMBL1771335 1.00 ENPP2 (0.48) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6828237 0.83 TUBB4A (0.47) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22683580 0.82 ENPP2 (0.44) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29427143 0.81 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL1124755 0.81 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL14339474 0.81 KDM4E (0.50) ALDH1A1LMNAKMT2AKDM4ES1PR4
SCHEMBL21062757 0.77 RAB9A (0.40) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4265709 0.75 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31466938 0.75 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11151784 0.73 MAPK1 (0.48) ALDH1A1LMNAKMT2AKDM4ES1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 ENPP2 4577/4885TUBB4A 1858/4885TUBB 1340/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 ENPP2 4577/4885TUBB4A 1858/4885TUBB 1340/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 ENPP2 4561/4885TUBB4A 2014/4885TUBB 1549/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X ENPP2 4539/4885TUBB4A 503/4885TUBB 1448/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 ENPP2 4540/4885TUBB4A 2259/4885TUBB 1725/4885

“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.