SCHEMBL27028664

SCHEMBL27028664

COc1ccc(C(F)(F)F)cc1-n1nc(C)c2cnc(-c3cnn4cccnc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ IRAK4 Q9NWZ3 9/20 0.36
▸ CACNA1D Q01668 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL29958986 0.89 PLK1 (0.41) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL27028672 0.89 PLK1 (0.41) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL27028684 0.89 IRAK4 (0.42) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL27028607 0.87 IRAK4 (0.44) PLK1POLBIRAK4JAK2JAK1
SCHEMBL29958736 0.87 IRAK4 (0.44) PLK1POLBIRAK4JAK2JAK1
SCHEMBL27028582 0.86 PLK1 (0.43) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL29958655 0.86 PLK1 (0.43) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL27028705 0.82 IRAK4 (0.37) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL29958609 0.82 IRAK4 (0.37) PLK1IRAK4JAK2JAK1TYK2
SCHEMBL27028587 0.82 IRAK4 (0.36) PLK1POLBIRAK4JAK2JAK1

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
US-20240279240-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-08-22 — — US claimed
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 — — EP claimed
CN-116981459-A Heterocyclic derivatives as janus kinase inhibitors 奇斯药制品公司 2023-10-31 — — CN claimed
WO-2022194779-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 — — WO claimed

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-20240279240-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK3, JAK1 PLK1 781/4885POLB 3621/4885IRAK4 9/4885

“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.

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