SCHEMBL4572189

SCHEMBL4572189

CCCN(c1ncnc2[nH]cnc12)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MAP3K5 Q99683 1/20 0.40
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
JAK3 P52333 12/20 0.36
JAK1 P23458 11/20 0.36
JAK2 O60674 8/20 0.34
TYK2 P29597 4/20 0.34
TSHR P16473 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CSF1R P07333 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
SCHEMBL15889075 0.89 JAK1 (0.38) HTTMAP3K5JAK3JAK1JAK2
SCHEMBL4569237 0.82 JAK3 (0.35) JAK3JAK1JAK2TYK2IRAK4
SCHEMBL14564406 0.82 JAK3 (0.44) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL9589430 0.81 JAK1 (0.52) JAK3JAK1JAK2TYK2IRAK4
SCHEMBL21814339 0.79 HTT (0.58) HTTMAP3K5NCOA1SMN1; SMN2NCOA3
SCHEMBL4572187 0.78 HTT (0.45) HTTMAP3K5NCOA1SMN1; SMN2NCOA3
SCHEMBL4572193 0.77 HTT (0.51) HTTMAP3K5NCOA1SMN1; SMN2NCOA3
SCHEMBL9827168 0.74 JAK3 (0.39) HTTJAK3JAK1JAK2TYK2
SCHEMBL23897679 0.74 CSF1R (0.38) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL5019515 0.72 HTT (0.41) HTTMAP3K5NCOA1SMN1; SMN2NCOA3

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-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 (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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885MAP3K5 53/4885NCOA1 1107/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 996/4885MAP3K5 52/4885NCOA1 1359/4885

“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.