SCHEMBL4572186

SCHEMBL4572186

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 6/20 0.53
EGFR P00533 4/20 0.50
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKA O14965 3/20 0.42
P2RX3 P56373 2/20 0.41

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
SCHEMBL4572192 1.00 RPS6KB1 (0.53) RPS6KB1EGFRLMNASMN1; SMN2HSD17B10
SCHEMBL22524283 0.86 EGFR (0.56) RPS6KB1EGFRAURKA
SCHEMBL6016695 0.86 EGFR (0.56) RPS6KB1EGFRAURKA
SCHEMBL7778243 0.86 EGFR (0.56) RPS6KB1EGFRAURKA
SCHEMBL5019518 0.82 LMNA (0.64) RPS6KB1EGFRLMNASMN1; SMN2HSD17B10
SCHEMBL14713436 0.82 LMNA (0.64) RPS6KB1EGFRLMNASMN1; SMN2HSD17B10
SCHEMBL2623141 0.82 LMNA (0.64) RPS6KB1EGFRLMNASMN1; SMN2HSD17B10
SCHEMBL7780505 0.81 RPS6KB1 (0.48) RPS6KB1AURKA
SCHEMBL14850560 0.79 PIK3CG (0.42)
SCHEMBL4569248 0.78 LMNA (0.44) RPS6KB1EGFRLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RPS6KB1 197/4885EGFR 1194/4885LMNA 1475/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 RPS6KB1 731/4885EGFR 4020/4885LMNA 812/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 RPS6KB1 731/4885EGFR 4020/4885LMNA 812/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RPS6KB1 182/4885EGFR 2377/4885LMNA 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.