SCHEMBL4725865

SCHEMBL4725865

CC(CO[Si](C)(C)C(C)(C)C)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
BTN3A1 O00481 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
SCHEMBL18209929 1.00 MTNR1A (0.33) MTNR1AMTNR1BBTN3A1
SCHEMBL8955655 0.83 SMN1; SMN2 (0.38)
SCHEMBL5001764 0.81 CA1 (0.45)
SCHEMBL5001765 0.81 CA1 (0.45)
SCHEMBL15864151 0.81
SCHEMBL23460120 0.79
SCHEMBL4534143 0.79
SCHEMBL16213071 0.79
SCHEMBL28803305 0.79 ALDH1A1 (0.31)
SCHEMBL23459762 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof PFIZER INC. (US) 2020-07-07 US disclosed
US-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2019-01-03 US disclosed
EP-3288943-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF Pfizer Inc (US) 2018-03-07 EP disclosed
WO-2016178110-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2016-11-10 WO disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (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-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF JAK2, JAK3, JAK1 MTNR1A 3376/4885MTNR1B 2469/4885BTN3A1 2163/4885
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof JAK2, JAK3, JAK1 MTNR1A 3376/4885MTNR1B 2469/4885BTN3A1 2163/4885

“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.