SCHEMBL4572174

SCHEMBL4572174

CC[C@H](C)Nc1ncnc2[nH]c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PIK3CD O00329 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL15889091 0.85 MAP4K4 (0.39) LRRK2TP53LMNAHTTNPSR1
SCHEMBL240657 0.84 TP53 (0.41) LRRK2TP53LMNAGAAHTT
SCHEMBL239204 0.84 TP53 (0.41) LRRK2TP53LMNAGAAHTT
SCHEMBL239850 0.84 TP53 (0.41) LRRK2TP53LMNAGAAHTT
SCHEMBL4572190 0.84 LRRK2 (0.38) LRRK2TP53LMNAGAAHTT
SCHEMBL4569241 0.79 JAK2 (0.32)
SCHEMBL22524381 0.75 LMNA (0.54) LMNASMN1; SMN2HSD17B10RAB9ARPS6KB1
SCHEMBL22524379 0.75 LMNA (0.54) LMNASMN1; SMN2HSD17B10RAB9ARPS6KB1
SCHEMBL20420131 0.75 YTHDC1 (0.49) TP53LMNAALDH1A1CYP3A4
SCHEMBL243905 0.75 LRRK2 (0.40) LRRK2TP53LMNAGAAHTT

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 LRRK2 549/4885TP53 544/4885LMNA 1475/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LRRK2 706/4885TP53 260/4885LMNA 2492/4885

“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.