SCHEMBL17403295

SCHEMBL17403295

C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)O)C2CC2)c2nc(C3CC3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.40
JAK2 O60674 16/20 0.40
JAK3 P52333 16/20 0.40
DGAT1 O75907 3/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL17403293 0.92 JAK1 (0.39) JAK1JAK2JAK3DGAT1TYK2
SCHEMBL2384374 0.90 JAK2 (0.43) JAK1JAK2JAK3DGAT1
SCHEMBL2384364 0.90 JAK2 (0.43) JAK1JAK2JAK3DGAT1
SCHEMBL19646533 0.90 JAK2 (0.43) JAK1JAK2JAK3DGAT1
SCHEMBL1371116 0.89 JAK2 (0.50) JAK1JAK2JAK3DGAT1
SCHEMBL2385721 0.86 JAK2 (0.43) JAK1JAK2JAK3DGAT1
SCHEMBL12449399 0.85 JAK2 (0.53) JAK1JAK2JAK3DGAT1TYK2
SCHEMBL1370195 0.85 DGAT1 (0.38) JAK1JAK2JAK3DGAT1TYK2
SCHEMBL2387681 0.85 DGAT1 (0.38) JAK1JAK2JAK3DGAT1TYK2
SCHEMBL1352358 0.85 DGAT1 (0.43) JAK1JAK2JAK3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 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 (2 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-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease MME, CAPRIN1, XPNPEP1 JAK1 4202/4885JAK2 4715/4885JAK3 4076/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 JAK1 4202/4885JAK2 4715/4885JAK3 4076/4885

“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.