Sugi Predict

Sugi Predict / Compounds / SCHEMBL10141511

SCHEMBL10141511

SCHEMBL10141511

CC(C)c1cnn(CCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TRPC5 Q9UL62 1/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MET P08581 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ BMPR1B O00238 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
SCHEMBL10141510 0.89 KDM5B (0.41) JAK2JAK1TYK2JAK3PDK2
SCHEMBL26003400 0.83 PDK2 (0.37) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL11914057 0.83 L3MBTL1 (0.40) L3MBTL1KDM5BMAPTALDH1A1HTT
SCHEMBL13165702 0.81 L3MBTL1 (0.32) NTRK1L3MBTL1
SCHEMBL15000459 0.81 L3MBTL1 (0.39) L3MBTL1KDM5B
SCHEMBL25123375 0.80 KDR (0.39) L3MBTL1
SCHEMBL22214021 0.80 NAMPT (0.36) L3MBTL1KDM5BNAMPTACHE
SCHEMBL24611400 0.80 KDR (0.39) L3MBTL1
SCHEMBL15000464 0.80 KDR (0.39) L3MBTL1
SCHEMBL14406318 0.80 L3MBTL1 (0.38) JAK2PDK2L3MBTL1NAMPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 — — US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 — — US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — 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 (4 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 NTRK1 2016/4885JAK2 154/4885JAK1 270/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 NTRK1 2016/4885JAK2 154/4885JAK1 270/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 NTRK1 2016/4885JAK2 154/4885JAK1 270/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 NTRK1 2016/4885JAK2 154/4885JAK1 270/4885

“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.