SCHEMBL22491248

SCHEMBL22491248

COc1cc(B(O)O)cc2c1C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 4/20 0.34
ROCK2 O75116 3/20 0.34
AURKA O14965 3/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
ENPP2 Q13822 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL29677056 1.00 NQO2 (0.35) NQO2ALDH1A1MEN1GAAKMT2A
SCHEMBL22491102 0.85 NCOA1 (0.38) ALDH1A1MEN1KMT2AKDRACHE
SCHEMBL23162311 0.84 CSF1R (0.32)
SCHEMBL22491097 0.76 IGF1R (0.38) NQO2ALDH1A1MEN1GAAKMT2A
SCHEMBL24169602 0.76 NQO2 (0.40) NQO2ALDH1A1MEN1GAAKMT2A
SCHEMBL24169603 0.76 NQO2 (0.35) NQO2ALDH1A1MEN1GAAKMT2A
SCHEMBL23162343 0.72 CSF1R (0.31)
SCHEMBL31167777 0.72 KDM4E (0.39) ALDH1A1MEN1GAAKMT2AKDR
SCHEMBL29956289 0.72 GRM5 (0.38) ALDH1A1MEN1GAAKMT2AKDR
SCHEMBL13027936 0.69 AURKA (0.50) NQO2ALDH1A1MEN1KMT2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2024-08-20 US disclosed
CN-111433200-B Compounds and pharmaceutical compositions for the treatment of diseases 加拉帕戈斯股份有限公司 2024-03-22 CN disclosed
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
EP-3717471-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-05 EP disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
EP-3717471-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos NV (BE) 2020-10-07 EP disclosed
CN-111433200-A Novel compounds and pharmaceutical compositions thereof for the treatment of diseases 加拉帕戈斯股份有限公司 2020-07-17 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 (4 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-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 NQO2 1537/4885ALDH1A1 1595/4885MEN1 1318/4885
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 NQO2 1537/4885ALDH1A1 1595/4885MEN1 1318/4885
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES F12, F3, COL1A1 NQO2 1537/4885ALDH1A1 1595/4885MEN1 1318/4885
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES JAK3, IFNG, IL23R NQO2 1754/4885ALDH1A1 1820/4885MEN1 1364/4885

“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.