SCHEMBL10141683

SCHEMBL10141683

CCNC(=O)c1cc(C(C)C)cnc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
CNR1 P21554 1/20 0.36
P2RX7 Q99572 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
EIF2S1 P05198 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CSNK1D P48730 1/20 0.34
CRHR1 P34998 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 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
SCHEMBL10141682 0.81 RIPK1 (0.42) BRD4LMNACCNE2CCNE1CDK2
SCHEMBL10174189 0.81 CNR1 (0.42) CNR1P2RX7CA2CA4LMNA
SCHEMBL19355748 0.78 VCP (0.39) CNR1CA2CA4LMNACCNE2
SCHEMBL19321641 0.76 NNMT (0.40)
SCHEMBL12024784 0.74 NPC1 (0.49) CA2CA4EGLN1NPC1RAB9A
SCHEMBL16472371 0.72 SMN1; SMN2 (0.48) BRD4CNR1LMNAEGLN1NPC1
SCHEMBL10141691 0.72 KDM4E (0.47) LMNAMAPTSMN1; SMN2
SCHEMBL18646370 0.71 GAA (0.50) BRD4CA2LMNAMAPTRAB9A
SCHEMBL25692404 0.71 BRD4 (0.40) BRD4CNR1LMNAVEGFAFLT1
SCHEMBL19355749 0.71 DPP4 (0.46) LMNASMN1; SMN2BCHEACHE

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 BRD4 1204/4885CNR1 2996/4885P2RX7 1921/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885CNR1 2996/4885P2RX7 1921/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885CNR1 2996/4885P2RX7 1921/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885CNR1 2996/4885P2RX7 1921/4885

“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.