SCHEMBL6364295

SCHEMBL6364295

CN1CCN(CCOc2cc3c(NC4CCCCCC4)ncnc3cn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
EHMT2 Q96KQ7 1/20 0.43
CD38 P28907 1/20 0.42
HPGDS O60760 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL6369876 0.96 HPGDS (0.45) IRAK4CD38HPGDSMEN1KMT2A
SCHEMBL6363927 0.95 AURKA (0.49) AURKAAURKBEHMT2
SCHEMBL6368598 0.89 IRAK4 (0.48) AURKAAURKBIRAK4
SCHEMBL6369862 0.84 KDR (0.48) IRAK4EHMT2MEN1KMT2A
SCHEMBL8312433 0.81 CD38 (0.43) CD38
SCHEMBL6368444 0.80 IRAK4 (0.45) IRAK4CD38
SCHEMBL6368103 0.72 IRAK4 (0.45) IRAK4CD38
SCHEMBL8312573 0.72 EGFR (0.52) MEN1KMT2A
SCHEMBL6363869 0.71 CD38 (0.47) CD38HPGDS
SCHEMBL8312604 0.70 EGFR (0.61) IRAK4MEN1KMT2A

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
WO-2005016925-A1 AZAQUINAZOLINE DERIVATIVES PFIZER LIMITED (GB) 2005-02-24 WO disclosed
US-20050038047-A1 Azaquinazoline derivatives EDWARDS PAUL JOHN (GB) 2005-02-17 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-20050038047-A1 Azaquinazoline derivatives AZI2, P2RX5, P2RX7 AURKA 1458/4885AURKB 1736/4885IRAK4 1896/4885

“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.