SCHEMBL4569237

SCHEMBL4569237

CC(C)(C)CN(c1ncnc2[nH]cnc12)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.35
JAK1 P23458 8/20 0.35
IRAK4 Q9NWZ3 7/20 0.34
JAK2 O60674 4/20 0.34
TYK2 P29597 2/20 0.34
CSF1R P07333 2/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL15889075 0.85 JAK1 (0.38) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL4572189 0.82 HTT (0.40) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL9589430 0.80 JAK1 (0.52) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL4569246 0.79 NUDT1 (0.41) JAK3CSF1RLRRK2
SCHEMBL14564406 0.78 JAK3 (0.44) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL4569238 0.76 HTT (0.36) JAK3CSF1RLRRK2
SCHEMBL23897679 0.75 CSF1R (0.38) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL9827168 0.73 JAK3 (0.39) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL10549819 0.70 ALDH1A1 (0.42) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL29100435 0.70 LRRK2 (0.41) JAK3JAK1JAK2CSF1RLRRK2

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 8 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-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 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 (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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB JAK3 171/4885JAK1 139/4885IRAK4 567/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB JAK3 171/4885JAK1 139/4885IRAK4 567/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD JAK3 164/4885JAK1 355/4885IRAK4 730/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB JAK3 258/4885JAK1 237/4885IRAK4 561/4885

“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.