SCHEMBL24070649

SCHEMBL24070649

COC(=O)c1ccc(-c2cnc(F)c(N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.52
TBK1 Q9UHD2 1/20 0.52
SGK1 O00141 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAP4K4 O95819 3/20 0.46
MAP2K4 P45985 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL27667113 0.80 IKBKB (0.50) IKBKETBK1MAP4K4MAP2K4MAPT
SCHEMBL488290 0.78 IKBKE (0.59) IKBKETBK1SGK1CAMKK2CA12
SCHEMBL5543060 0.77 MKNK1 (0.65) IKBKETBK1SGK1CAMKK2CA12
SCHEMBL29124905 0.77 IKBKE (0.58) IKBKETBK1SGK1CAMKK2CA12
SCHEMBL38655263 0.77 ERN1 (0.51) IKBKETBK1SGK1CAMKK2CA12
SCHEMBL23226712 0.77 CA1 (0.56) CA12CA1CA2CA9CA14
SCHEMBL38657217 0.76 ERN1 (0.56) CA12CA1CA2CA9CA14
SCHEMBL15614634 0.75 ERN1 (0.52) IKBKETBK1SGK1CAMKK2CA1
SCHEMBL38655297 0.75 ERN1 (0.59) IKBKETBK1SGK1CAMKK2CA12
SCHEMBL19025784 0.75 SGK1 (0.54) IKBKETBK1SGK1CAMKK2CA12

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-20230167114-A1 MACROCYCLIC JAK INHIBITOR AND USE THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-01 US disclosed
US-20230167114-A1 MACROCYCLIC JAK INHIBITOR AND USE THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-01 US disclosed
WO-2021238817-A1 MACROCYCLIC JAK INHIBITOR AND USE THEREOF 百极弘烨(广东)医药科技有限公司 2021-12-02 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-20230167114-A1 MACROCYCLIC JAK INHIBITOR AND USE THEREOF JAK1, JAK2, JAK3 IKBKE 11/4885TBK1 177/4885SGK1 117/4885

“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.