SCHEMBL13828402

SCHEMBL13828402

Cn1nc(-c2ccc3c(c2)C(=O)NC3)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.57
PIK3CA P42336 11/20 0.57
PIK3CB P42338 11/20 0.57
PIK3CG P48736 11/20 0.57
PRKDC P78527 11/20 0.57
ABL1 P00519 9/20 0.57
EGFR P00533 9/20 0.57
HCK P08631 9/20 0.57
SRC P12931 9/20 0.57
MTOR P42345 9/20 0.57
EPHB4 P54760 9/20 0.57
KDR P35968 8/20 0.57
PI4KB Q9UBF8 2/20 0.55
NUDT14 O95848 1/20 0.49
NUDT5 Q9UKK9 1/20 0.49
BRAF P15056 1/20 0.47
RIPK1 Q13546 5/20 0.47
RET P07949 1/20 0.46
AURKA O14965 1/20 0.46
IKBKE Q14164 1/20 0.46

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
SCHEMBL13828428 0.91 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL869505 0.78 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19414430 0.77 NTRK2 (0.46) KDRBRAF
Hydrochloric Acid SCHEMBL868422 0.77 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL869499 0.77 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18874074 0.76 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13201532 0.75 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130513 0.74 SRC (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30782445 0.73 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12366 0.73 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CD 47/4885PIK3CA 88/4885PIK3CB 23/4885

“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.