SCHEMBL4569232

SCHEMBL4569232

Cc1nc2c(C(C)C)ncnc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
AKT2 P31751 1/20 0.32
PARP1 P09874 1/20 0.30
KDM5A P29375 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4569236 0.80 FFAR2 (0.33) FFAR2
SCHEMBL4569235 0.80 FFAR2 (0.33) FFAR2
SCHEMBL15889091 0.76 MAP4K4 (0.39) ADORA3HTT
SCHEMBL4572185 0.76 ADORA3 (0.38) ADORA3AKT2PARP1HTT
SCHEMBL953009 0.75 NUDT1 (0.41) ADORA3PARP1
SCHEMBL9544738 0.73 ADORA3 (0.40) ADORA3AKT2PARP1HTT
SCHEMBL12997906 0.73 ADORA3 (0.35) ADORA3AKT2PARP1HTT
SCHEMBL18411655 0.73 CSNK2A1 (0.36) ADORA3AKT2PARP1HTT
SCHEMBL20420131 0.72 YTHDC1 (0.49) ADORA3AKT2PARP1
SCHEMBL14347077 0.70 TP53 (0.41) ADORA3AKT2PARP1HTT

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 6 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-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 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-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 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 (3 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 FFAR2 3342/4885ADORA3 1676/4885AKT2 8/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB FFAR2 3342/4885ADORA3 1676/4885AKT2 8/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD FFAR2 4322/4885ADORA3 1359/4885AKT2 12/4885

“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.