SCHEMBL5453917

SCHEMBL5453917

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.58
KMO O15229 1/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NAPEPLD Q6IQ20 3/20 0.47
PKM P14618 2/20 0.47
PIK3CA P42336 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5218939 0.86 PIK3CB (0.53) PIK3CBKMOKDM4EALDH1A1L3MBTL1
SCHEMBL594184 0.80 KMO (0.61) PIK3CBKMOKDM4EALDH1A1NAPEPLD
SCHEMBL425720 0.80 KMO (0.57) PIK3CBKMOKDM4EALDH1A1L3MBTL1
SCHEMBL1271891 0.80 KMO (0.61) KMOKDM4EALDH1A1L3MBTL1NAPEPLD
SCHEMBL14818929 0.78 KMT2A (0.64) PIK3CBKDM4EALDH1A1L3MBTL1PKM
SCHEMBL27700148 0.77 L3MBTL1 (0.46) PIK3CBKDM4EALDH1A1L3MBTL1PKM
SCHEMBL14804579 0.77 CYP1A2 (0.60) PIK3CBKDM4EALDH1A1L3MBTL1PKM
SCHEMBL3108475 0.76 KMO (0.50) PIK3CBKMOKDM4EALDH1A1PKM
SCHEMBL16950261 0.76 KMO (0.55) KMOKDM4EALDH1A1L3MBTL1PKM
SCHEMBL242170 0.75 KMO (0.56) PIK3CBKMOKDM4EALDH1A1L3MBTL1

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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN 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 572/4885KMO 2851/4885KDM4E 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.