SCHEMBL10141564

SCHEMBL10141564

CCNC(=O)Cn1cc(C(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TYK2 P29597 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL15033982 0.88 BCHE (0.42) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10080930 0.83 CCNC (0.42) PDK2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL22916887 0.82 PDK2 (0.46) PDK2HTTSMN1; SMN2MEN1KMT2A
SCHEMBL15463230 0.80 SMN1; SMN2 (0.58) PDK2LMNAHTTSMN1; SMN2MEN1
SCHEMBL19321624 0.80 HTT (0.40) PDK2HTTMEN1KMT2ANPC1
SCHEMBL15462076 0.80 ACHE (0.38) SMN1; SMN2MEN1KMT2ATSHRMAPK1
SCHEMBL22971645 0.79 SYK (0.42) SMN1; SMN2MEN1KMT2ATSHRMAPK1
SCHEMBL15592363 0.78 KMT2A (0.43) PDK2SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL10141502 0.78 ACHE (0.37) PDK2MEN1KMT2ATSHRMAPK1
SCHEMBL18508505 0.77 TYK2 (0.43) PDK2LMNAHTTSMN1; SMN2TYK2

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 10 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-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-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 (5 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 PDK2 333/4885LMNA 2298/4885HTT 1061/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PDK2 333/4885LMNA 2298/4885HTT 1061/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PDK2 333/4885LMNA 2298/4885HTT 1061/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PDK2 333/4885LMNA 2298/4885HTT 1061/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 PDK2 333/4885LMNA 2298/4885HTT 1061/4885

“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.