SCHEMBL3114797

SCHEMBL3114797

Nc1ncnc2onc(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PRKDC P78527 2/20 0.51
KDR P35968 4/20 0.48
ROCK2 O75116 2/20 0.48
MAP4K4 O95819 2/20 0.48
CHEK2 O96017 2/20 0.48
LCK P06239 2/20 0.48
LYN P07948 2/20 0.48
RET P07949 2/20 0.48
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
RPS6KB1 P23443 2/20 0.48
EPHA2 P29317 2/20 0.48
FLT3 P36888 2/20 0.48
FRK P42685 2/20 0.48
SYK P43405 2/20 0.48
CLK2 P49760 2/20 0.48

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
SCHEMBL3119168 0.76 KDR (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1320032 0.75 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3123949 0.74 MEN1 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL659899 0.73 CA12 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4479244 0.73 KDR (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1319408 0.71 NUDT14 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5770669 0.70 MAPT (0.47) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3868087 0.70 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3124549 0.69 KDR (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28820851 0.69 MEN1 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 US claimed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 US claimed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US claimed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 US claimed
US-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 US disclosed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 US disclosed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 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 (3 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-20030199525-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 PIK3CD 144/4885PIK3CA 112/4885PIK3CB 188/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 PIK3CD 151/4885PIK3CA 97/4885PIK3CB 173/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 PIK3CD 236/4885PIK3CA 111/4885PIK3CB 182/4885

“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.