SCHEMBL22498089

SCHEMBL22498089

Oc1c(Br)cn2cc(C3CCOCC3)nc2c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
IRAK4 Q9NWZ3 6/20 0.39
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PIK3CD O00329 1/20 0.31
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL22497889 0.78 IRAK4 (0.38) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22497997 0.77 IRAK4 (0.36) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22234779 0.74 IRAK4 (0.41) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22235015 0.74 IRAK4 (0.41) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22234517 0.73 PIK3CA (0.38) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL12306333 0.72 PDE10A (0.46) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL31210346 0.71
SCHEMBL22235555 0.71 IRAK4 (0.41) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22234771 0.70 IRAK4 (0.40) PIK3CAPIK3R1IRAK4PSEN1PSEN2
SCHEMBL22234966 0.69 IRAK4 (0.39) PIK3CAIRAK4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-09-22 US disclosed
EP-3947374-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
CN-113677678-A Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders 加拉帕戈斯股份有限公司 2021-11-19 CN disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO 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-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, LTB4R PIK3CA 2417/4885PIK3R1 2181/4885IRAK4 522/4885

“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.