SCHEMBL26289346

SCHEMBL26289346

C[C@H](NP(=O)(OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)C[C@@H]1O)Oc1ccccc1)C(=O)OC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.34
▸ POLRMT O00411 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ BTN3A1 O00481 3/20 0.31
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 0.30

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
SCHEMBL26293439 0.94 PIK3CD (0.34) DOT1LPOLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL23819212 0.92 POLRMT (0.39) DOT1LPOLRMTJAK2JAK1CYP3A4
SCHEMBL23818779 0.88 POLRMT (0.32) POLRMTJAK2JAK1CYP3A4CYP2C9
SCHEMBL26275856 0.88 POLRMT (0.38) DOT1LPOLRMTJAK2JAK1CYP3A4
SCHEMBL23818904 0.88 POLRMT (0.38) DOT1LPOLRMTJAK2JAK1CYP3A4
SCHEMBL23819124 0.88 JAK2 (0.33) POLRMTJAK2JAK1AXLMERTK
SCHEMBL26331248 0.88 JAK2 (0.33) POLRMTJAK2JAK1AXLMERTK
SCHEMBL23803231 0.88 JAK2 (0.33) POLRMTJAK2JAK1AXLMERTK
SCHEMBL23819153 0.88 JAK2 (0.33) POLRMTJAK2JAK1AXLMERTK
SCHEMBL26295313 0.87 POLRMT (0.33) DOT1LPOLRMTCYP3A4CYP2C9BTN3A1

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 DOT1L 3143/4885POLRMT 535/4885JAK2 2606/4885

“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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