SCHEMBL23112384

SCHEMBL23112384

O=C(CBr)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.54
PTPN1 P18031 6/20 0.54
MRGPRX4 Q96LA9 1/20 0.41
KMO O15229 2/20 0.40
NOTUM Q6P988 2/20 0.40

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
SCHEMBL1726226 0.87 GSK3B (0.54) GSK3BPTPN1
SCHEMBL30298640 0.87 GSK3B (0.54) GSK3BPTPN1
SCHEMBL5365512 0.84 GSK3B (0.59) GSK3BPTPN1NOTUM
SCHEMBL24959794 0.83 NOTUM (0.42) MRGPRX4KMONOTUM
SCHEMBL9955538 0.81 NOTUM (0.59) GSK3BPTPN1NOTUM
SCHEMBL474257 0.81 GSK3B (0.56) GSK3BPTPN1NOTUM
SCHEMBL23112403 0.80 GSK3B (0.54) GSK3BPTPN1NOTUM
SCHEMBL7779146 0.79 PTPN1 (0.58) GSK3BPTPN1NOTUM
SCHEMBL30580694 0.79 PTPN1 (0.58) GSK3BPTPN1NOTUM
SCHEMBL24400223 0.79 KMO (0.43) MRGPRX4KMONOTUM

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK GSK3B 3707/4885PTPN1 2816/4885MRGPRX4 3336/4885

“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.