SCHEMBL23112403

SCHEMBL23112403

Cc1cc(C(=O)CBr)ccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.54
PTPN1 P18031 6/20 0.54
NOTUM Q6P988 1/20 0.43
KIF11 P52732 1/20 0.40
GNG2 P59768 1/20 0.39
GNB1 P62873 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7787247 0.87 GSK3B (0.54) GSK3BPTPN1NOTUMGNG2GNB1
SCHEMBL5365512 0.84 GSK3B (0.59) GSK3BPTPN1NOTUMKIF11NPSR1
SCHEMBL474257 0.81 GSK3B (0.56) GSK3BPTPN1NOTUMKIF11
SCHEMBL9955538 0.81 NOTUM (0.59) GSK3BPTPN1NOTUMKIF11NPSR1
SCHEMBL1349593 0.81 PLOD2 (0.54) PTPN1NOTUMKIF11NPSR1MEN1
SCHEMBL9859044 0.81 NOTUM (0.41) PTPN1NOTUMKIF11NPSR1MEN1
SCHEMBL23112384 0.80 GSK3B (0.54) GSK3BPTPN1NOTUM
SCHEMBL7779146 0.79 PTPN1 (0.58) GSK3BPTPN1NOTUMNPSR1MEN1
SCHEMBL30580694 0.79 PTPN1 (0.58) GSK3BPTPN1NOTUMNPSR1MEN1
SCHEMBL312657 0.79 KIF11 (0.56) NOTUMKIF11NPSR1MEN1NPC1

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 2816/4885NOTUM 2577/4885

“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.