SCHEMBL23112367

SCHEMBL23112367

Cc1ncc(C(=O)CBr)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.43
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 5/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SCN9A Q15858 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL4285053 0.82 GSK3B (0.50) GSK3BALDH1A1TDP1L3MBTL1PTPN1
SCHEMBL9195970 0.79 GSK3B (0.43) GSK3BALDH1A1PTPN1SCN9A
SCHEMBL1105964 0.78 HCAR2 (0.47) ALDH1A1KMT2AMEN1SLC22A12
SCHEMBL17294224 0.78 NAPRT (0.38) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL2750787 0.78 KMT2A (0.43) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL17151570 0.77 LMNA (0.42)
SCHEMBL20803764 0.77 KMT2A (0.37) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL31037449 0.77 LMNA (0.42)
SCHEMBL15047753 0.74 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL13748455 0.74 KMT2A (0.35) ALDH1A1TDP1L3MBTL1KMT2AMEN1

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-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

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 3707/4885ALDH1A1 767/4885TDP1 1798/4885

“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.