Sugi Predict

Sugi Predict / Compounds / SCHEMBL1136795

SCHEMBL1136795

SCHEMBL1136795

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1/C=C/c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.46
▸ USP30 Q70CQ3 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SOS1 Q07889 1/20 0.38
▸ ALK Q9UM73 3/20 0.38
▸ CCND3 P30281 2/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND2 P30279 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37

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
SCHEMBL1136797 1.00 ABCB1 (0.46) ABCB1USP30MAPTSMN1; SMN2MEN1
SCHEMBL3000928 0.89 MAOB (0.38) MAPTALK
SCHEMBL3000938 0.89 MAOB (0.38) MAPTALK
SCHEMBL12864813 0.83 ABCB1 (0.53) ABCB1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL1136714 0.83 ABCB1 (0.51) ABCB1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL1136716 0.83 ABCB1 (0.51) ABCB1MAPTSMN1; SMN2MEN1TSHR
SCHEMBL247897 0.78 MAPT (0.59) USP30MAPTSMN1; SMN2MEN1TSHR
SCHEMBL1136850 0.77 ALPL (0.32) ABCB1USP30ALK
SCHEMBL1136842 0.77 ALPL (0.32) ABCB1USP30ALK
SCHEMBL586263 0.76 MAPT (0.54) ABCB1MAPTSMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 — — EP disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
EP-1919905-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 — — EP disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 — — US disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 — — US disclosed
WO-2007027528-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-.RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 — — 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 (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-20070185125-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 ABCB1 1732/4885USP30 2220/4885MAPT 1276/4885

“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.