SCHEMBL16699478

SCHEMBL16699478

C[C@H](CC(=O)O)C(=O)Nc1ccn(C)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 1/20 0.45
NOTUM Q6P988 1/20 0.43
ELOVL1 Q9BW60 3/20 0.43
GCK P35557 3/20 0.43
MAPK1 P28482 1/20 0.42
GRM5 P41594 1/20 0.41
CTSK P43235 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL16703929 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL16698703 0.82 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL16703930 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL9233569 0.79 CTSK (0.51) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL18421576 0.76 NPC1 (0.65) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL12649503 0.74 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL11565633 0.73 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL2629347 0.72 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL2625578 0.72 NPC1 (0.57) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL12444121 0.71 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1LMNAHTT

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
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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 (2 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 SMN1; SMN2 1888/4885KDM4E 125/4885ALDH1A1 782/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 SMN1; SMN2 1888/4885KDM4E 125/4885ALDH1A1 782/4885

“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.