SCHEMBL12664153

SCHEMBL12664153

CNC(=O)Nc1cn2nc(-c3cccc(C(=O)O)c3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.48
CSNK1D P48730 11/20 0.47
CSNK1E P49674 10/20 0.47
RIPK1 Q13546 2/20 0.47
PIK3CA P42336 3/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL12664250 0.92 AURKA (0.55) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664154 0.91 PIK3CG (0.47) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664179 0.90 PIK3CA (0.48) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664478 0.90 CSNK1D (0.48) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664315 0.89 FYN (0.48) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664279 0.89 KDR (0.46) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664471 0.89 PIK3CA (0.45) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664053 0.88 CSNK1D (0.52) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664405 0.88 CSNK1D (0.53) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL12664254 0.88 PIK3CA (0.49) PIK3CGCSNK1DCSNK1ERIPK1PIK3CA

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-20110105457-A1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON PI3K SHIONOGI & CO., LTD. 2011-05-05 US disclosed
US-20110105457-A1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON PI3K SHIONOGI & CO., LTD. 2011-05-05 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 (1 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-20110105457-A1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON PI3K MTOR, STAT3, PIK3CD PIK3CG 11/4885CSNK1D 1952/4885CSNK1E 1619/4885

“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.