SCHEMBL4569248

SCHEMBL4569248

CC(C)(C)[C@@H](Nc1ncnc2[nH]cnc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EGFR P00533 4/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
MAP4K4 O95819 2/20 0.36
PRKD3 O94806 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL4569247 1.00 LMNA (0.44) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL7773690 0.91 LMNA (0.43) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL7778515 0.86 LMNA (0.41) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL2623141 0.82 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL14713436 0.82 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL5019518 0.82 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRGALR3
SCHEMBL4572192 0.78 RPS6KB1 (0.53) LMNASMN1; SMN2HSD17B10EGFRAURKA
SCHEMBL4572186 0.78 RPS6KB1 (0.53) LMNASMN1; SMN2HSD17B10EGFRAURKA
SCHEMBL7778551 0.77 EGFR (0.52) LMNASMN1; SMN2HSD17B10EGFRAURKA
SCHEMBL179372 0.77 SMN1; SMN2 (0.35) LMNASMN1; SMN2HSD17B10

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 LMNA 1475/4885SMN1; SMN2 1464/4885HSD17B10 1927/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885SMN1; SMN2 1464/4885HSD17B10 1927/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD LMNA 1113/4885SMN1; SMN2 2594/4885HSD17B10 2578/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 2492/4885SMN1; SMN2 3072/4885HSD17B10 1602/4885

“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.