SCHEMBL7787247

SCHEMBL7787247

Cc1ccc(C(=O)CBr)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.54
PTPN1 P18031 6/20 0.54
ADCY8 P40145 2/20 0.41
ADCY1 Q08828 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
NOTUM Q6P988 1/20 0.40
GNG2 P59768 1/20 0.39
GNB1 P62873 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39

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
SCHEMBL23112403 0.87 GSK3B (0.54) GSK3BPTPN1MEN1NPC1MAPT
SCHEMBL24403911 0.86 GSK3B (0.46) GSK3BPTPN1MEN1NPC1MAPT
SCHEMBL5365512 0.84 GSK3B (0.59) GSK3BPTPN1MEN1NPC1MAPT
SCHEMBL30580694 0.83 PTPN1 (0.58) GSK3BPTPN1MEN1NPC1MAPT
SCHEMBL7779146 0.83 PTPN1 (0.58) GSK3BPTPN1MEN1NPC1MAPT
SCHEMBL129133 0.81 PTPN1 (0.56) GSK3BPTPN1
SCHEMBL30129534 0.81 PTPN1 (0.56) GSK3BPTPN1
SCHEMBL1924656 0.81 PLOD2 (0.54) PTPN1ADCY8ADCY1GPBAR1MEN1
SCHEMBL27803229 0.80 HTT (0.48) ADCY8ADCY1GPBAR1MEN1NPC1
SCHEMBL1726226 0.80 GSK3B (0.54) GSK3BPTPN1MEN1MAPTKMT2A

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 6 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
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 3707/4885PTPN1 2816/4885ADCY8 1629/4885

“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.