SCHEMBL5218939

SCHEMBL5218939

CNc1nc(C(=O)OC)cc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.53
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PIK3CA P42336 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
AURKA O14965 2/20 0.45
KMO O15229 1/20 0.44
NAPEPLD Q6IQ20 5/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL5453917 0.86 PIK3CB (0.58) PIK3CBALDH1A1KDM4EL3MBTL1PIK3CA
SCHEMBL593003 0.84 PIK3CB (0.48) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL7016486 0.80 MEN1 (0.51) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL244072 0.80 PIK3CA (0.47) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL29434078 0.80 PIK3CA (0.47) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL1505634 0.80 PIK3CB (0.47) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL27700148 0.78 L3MBTL1 (0.46) PIK3CBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL987017 0.78 HTT (0.65) PIK3CBALDH1A1KDM4EPIK3CASMN1; SMN2
SCHEMBL24921343 0.77 KMO (0.69) PIK3CBALDH1A1KDM4EL3MBTL1PIK3CA
SCHEMBL31706217 0.77 KMO (0.69) PIK3CBALDH1A1KDM4EL3MBTL1PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 WO 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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 PIK3CB 572/4885ALDH1A1 309/4885KDM4E 521/4885

“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.