SCHEMBL18032012

SCHEMBL18032012

Bn1c([C@H](C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CG P48736 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL17586324 0.85 PIK3CD (0.52) MEN1NPC1GAARAB9AKMT2A
SCHEMBL16629027 0.83 PIK3R2 (0.44) PIK3CDPIK3R2PIK3CG
SCHEMBL7147051 0.81 CXCR3 (0.49) PIK3CDPIK3R2PIK3CG
SCHEMBL10163627 0.80 HSD17B10 (0.54) MEN1NPC1GAARAB9AKMT2A
SCHEMBL15817108 0.80 PIK3CD (0.52) MEN1NPC1GAARAB9AKMT2A
SCHEMBL15817107 0.80 PIK3CD (0.52) MEN1NPC1GAARAB9AKMT2A
SCHEMBL15598275 0.79 KMT2A (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL17718406 0.76 POLB (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL28129300 0.76 KMT2A (0.53) MEN1NPC1GAARAB9AKMT2A
SCHEMBL10705700 0.75 MEN1 (0.46) MEN1NPC1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 US disclosed
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 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 (1 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-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885NPC1 1044/4885GAA 404/4885

“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.