SCHEMBL10141545

SCHEMBL10141545

Cc1cc(Cn2cc(C(C)C)cn2)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
GRIN2B Q13224 9/20 0.38
GRIN1 Q05586 5/20 0.38
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 3/20 0.35
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10175545 0.84 MAPT (0.45) MAPTRECQLGABRA1GABRA5GRIN2B
SCHEMBL12493205 0.80 MAPT (0.42) MAPTRECQLGABRA1GABRA5GRIN2B
SCHEMBL12492271 0.78 MAPT (0.40) MAPTRECQLGABRA1GABRA5GRIN2B
SCHEMBL27950289 0.75 MAPT (0.39) MAPTRECQLGABRA1GABRA5GRIN2B
SCHEMBL19698042 0.72 GRIN2B (0.47) MAPTRECQLGABRA1GABRA5GRIN2B
SCHEMBL19079545 0.71 TLR9 (0.32) GRIN2BGRIN1
SCHEMBL10141542 0.70 KLKB1 (0.44) GRIN2BGRIN1MEN1KMT2APDE1B
SCHEMBL18705077 0.69 MAPT (0.43) MAPTRECQLKDM4EAURKA
SCHEMBL10141539 0.69 CYP2C9 (0.42) GRIN2BGRIN1
SCHEMBL16804397 0.68 CACNA1H (0.43) MAPTMEN1MAPK1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 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 MAPT 2239/4885RECQL 909/4885GABRA1 2832/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MAPT 2239/4885RECQL 909/4885GABRA1 2832/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MAPT 2239/4885RECQL 909/4885GABRA1 2832/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MAPT 2239/4885RECQL 909/4885GABRA1 2832/4885

“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.