SCHEMBL27018910

SCHEMBL27018910

Cn1cc(Nc2nccc(N3C[C@H]4C[C@@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.90
▸ JAK2 O60674 16/20 0.90
▸ TYK2 P29597 16/20 0.90
▸ JAK3 P52333 5/20 0.90
▸ KDR P35968 2/20 0.90
▸ STAT1 P42224 1/20 0.90
▸ PRMT7 Q9NVM4 1/20 0.74

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
Brepocitinib SCHEMBL17512502 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL17512520 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL22345890 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL24172497 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL31291113 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL24173034 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL24293069 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL24172557 0.94 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR
SCHEMBL24891455 0.88 JAK1 (0.78) JAK1JAK2TYK2JAK3KDR
Brepocitinib SCHEMBL20767478 0.85 JAK1 (1.00) JAK1JAK2TYK2JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018155-A1 NEW CRYSTAL FORM OF P-TOLUENESULFONATE SALT OF DIAZABICYCLIC COMPOUND AND PREPARATION METHOD THEREFOR CRYSTAL PHARMATECH CO., LTD. (CN) 2024-01-18 — — 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 (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-20240018155-A1 NEW CRYSTAL FORM OF P-TOLUENESULFONATE SALT OF DIAZABICYCLIC COMPOUND AND PREPARATION METHOD THEREFOR ABCG2, SLC6A11, TST JAK1 121/4885JAK2 234/4885TYK2 787/4885

“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.

Send feedback