SCHEMBL24912992

SCHEMBL24912992

Cc1cc(Br)c2occ(F)c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAOB P27338 4/20 0.33
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
KCNA3 P22001 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ALDH2 P05091 1/20 0.30
ALDH3A1 P30838 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL31035604 0.83 PTPN1 (0.45) PTPN1ESR1ESR2MAOBCSNK2A2
SCHEMBL23887130 0.78 PTPN1 (0.72) PTPN1MAOBALDH1A1MAOA
SCHEMBL20906139 0.75 HTT (0.32) PTPN1ESR1ESR2MAPT
SCHEMBL30940310 0.74 PTPN1 (0.45) PTPN1MAOBALDH1A1MAPTMAOA
SCHEMBL28990300 0.72 LOXL2 (0.36) PTPN1MAOBALDH1A1MAPTMAOA
SCHEMBL30940293 0.69 ALDH1A1 (0.40) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL29116198 0.69 ALDH1A1 (0.55) PTPN1MAOBALDH1A1MAPTMAOA
SCHEMBL11539348 0.69 PTPN1 (0.61) PTPN1ESR1ESR2MAOBCSNK2A2
SCHEMBL27313611 0.67 ATM (0.35) CSNK2A2CSNK2BCSNK2A1
SCHEMBL31035336 0.66 ESR1 (0.40) ESR1ESR2MAOBCSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693506-A Allosteric ketone inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-12 CN disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-20230017140-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 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 (2 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-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 PTPN1 597/4885ESR1 446/4885ESR2 721/4885
US-20230017140-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PTPN1 597/4885ESR1 446/4885ESR2 721/4885

“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.