SCHEMBL18220522

SCHEMBL18220522

COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(O)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
MAPT P10636 2/20 0.33
KLKB1 P03952 1/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NR4A2 P43354 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1372546 0.90 DGAT1 (0.41) DGAT1MAPTKLKB1TSHRL3MBTL1
SCHEMBL12146503 0.88 DGAT1 (0.37) DGAT1MAPTKLKB1TSHRL3MBTL1
SCHEMBL1373088 0.82 DGAT1 (0.38) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL18210284 0.80 DGAT1 (0.35) DGAT1MAPTKLKB1TSHRL3MBTL1
SCHEMBL21678405 0.80 DGAT1 (0.41) DGAT1MAPTTSHRKDM4EALDH1A1
SCHEMBL31070127 0.80 DGAT1 (0.41) DGAT1MAPTTSHRKDM4EALDH1A1
SCHEMBL1352880 0.79 DGAT1 (0.42) DGAT1MAPTKLKB1
SCHEMBL29936480 0.79 DGAT1 (0.42) DGAT1MAPTKLKB1
SCHEMBL1369168 0.78 DGAT1 (0.39) DGAT1MAPTKLKB1TSHRALDH1A1
SCHEMBL12145882 0.77 KLKB1 (0.40) DGAT1MAPTKLKB1LMNA

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 3 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
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

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 DGAT1 4055/4885MAPT 3397/4885KLKB1 2113/4885
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 DGAT1 4055/4885MAPT 3397/4885KLKB1 2113/4885

“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.