SCHEMBL10141548

SCHEMBL10141548

CCc1ccc(Cn2cc(C(C)C)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESRRG P62508 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KCNH2 Q12809 1/20 0.37
MGLL Q99685 1/20 0.37
CREBBP Q92793 2/20 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
SCHEMBL16804397 0.86 CACNA1H (0.43) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL13800892 0.86 KCNH2 (0.50) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL18948377 0.85 HSD17B10 (0.42) LMNAKMT2AMAPTL3MBTL1HSD17B10
SCHEMBL10141551 0.84 L3MBTL1 (0.59) LMNAL3MBTL1TDP1SCDSCD5
SCHEMBL18471507 0.83 CYP3A4 (0.47) LMNAKMT2AMAPTL3MBTL1HSD17B10
SCHEMBL13975111 0.82 NPBWR1 (0.52) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL24208605 0.81 TEK (0.46) LMNAMAPTL3MBTL1CYP3A4CYP2C9
SCHEMBL19077891 0.81 CYP19A1 (0.51) ACACB
SCHEMBL19077863 0.80 HSD17B10 (0.67) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL19077862 0.79 ALDH1A1 (0.48) LMNAKMT2AMEN1L3MBTL1HSD17B10

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-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-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 LMNA 2298/4885KMT2A 2852/4885MAPT 2239/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885KMT2A 2852/4885MAPT 2239/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885KMT2A 2852/4885MAPT 2239/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LMNA 2298/4885KMT2A 2852/4885MAPT 2239/4885

“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.