Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319933

SCHEMBL2319933

SCHEMBL2319933

Cn1cc(-c2cc3nc(NNC(=O)OC(C)(C)C)cnc3n2COCC[Si](C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.42
▸ DYRK1A Q13627 3/20 0.42
▸ TTK P33981 10/20 0.36
▸ DGAT1 O75907 2/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ RET P07949 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL2316991 0.89 MAPK1 (0.36) GSK3BDYRK1ADGAT1WNT1ABL1
SCHEMBL1932350 0.82 NTRK1 (0.34) TTKDGAT1NTRK1MAPK1AURKB
SCHEMBL12390102 0.81 GSK3B (0.35) GSK3BDYRK1ATTKDGAT1WNT1
SCHEMBL1536772 0.79 MTNR1A (0.39) GSK3BDYRK1ADGAT1ABL1NTRK1
SCHEMBL2320459 0.77 DGAT1 (0.39) DGAT1NTRK1
SCHEMBL1933848 0.76 GSK3B (0.38) GSK3BDYRK1ATTKDGAT1
SCHEMBL30690647 0.76 DYRK1A (0.41) GSK3BDYRK1ATTKWNT1IRAK1
SCHEMBL30690642 0.73 CSF1R (0.41) GSK3BDYRK1ATTKWNT1ABL1
SCHEMBL30690764 0.73 CHEK1 (0.39) GSK3BDYRK1ADGAT1WNT1
SCHEMBL30690811 0.73 DYRK1A (0.38) GSK3BDYRK1ATTKWNT1ABL1

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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 GSK3B 1274/4885DYRK1A 4131/4885TTK 1904/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885DYRK1A 4131/4885TTK 1904/4885

“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.