SCHEMBL4569214

SCHEMBL4569214

Cc1ncc(C(N)=O)c(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NNMT P40261 6/20 0.40
SYK P43405 6/20 0.39
PARP1 P09874 2/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33

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
SCHEMBL22725595 0.84 HPGD (0.42) TDP1HSP90AA1HSP90B1
SCHEMBL19261369 0.82 P2RX3 (0.45) NNMTMAPK8MAPK9P2RX3P2RX2
SCHEMBL5191527 0.78 PIM1 (0.45) TDP1
SCHEMBL12272538 0.77 NNMT (0.46) NNMTSYKPARP1SIRT3TDP1
SCHEMBL5189309 0.77 LRRK2 (0.37) NNMTSYKMAPK8MAPK9
SCHEMBL584137 0.76 NNMT (0.43) NNMTSYKPARP1SIRT3TDP1
SCHEMBL12575429 0.74 NNMT (0.45) NNMTSYKPARP1SIRT3TDP1
SCHEMBL5280674 0.72 POLB (0.55) HSP90AA1
SCHEMBL25776390 0.71 SYK (0.48) SYKPARP1MAPK8MAPK9P2RX3
SCHEMBL14981458 0.71 SYK (0.51) NNMTSYKPARP1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NNMT 743/4885SYK 382/4885PARP1 758/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NNMT 743/4885SYK 382/4885PARP1 758/4885

“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.