SCHEMBL4144530

SCHEMBL4144530

c1nc2cnc(OC3CCCC3)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.38
▸ LRRK2 Q5S007 5/20 0.37
▸ PDGFRB P09619 3/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ CDK4 P11802 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL30984077 0.94 FLT3 (0.34) CDK1LRRK2PAK1FLT3
SCHEMBL1398865 0.73 QPCT (0.46) ALDH1A1PIK3CAMTOR
SCHEMBL159109 0.73 ADORA2A (0.40) CDK1LRRK2PDGFRBPDGFRAJAK3
SCHEMBL6946172 0.72 PAK1 (0.35) PAK1CDK2CCNE1CDK5FLT3
Hydrochloric Acid SCHEMBL6821627 0.71 PAK1 (0.34) PAK1CDK2CCNE1CDK5FLT3
SCHEMBL7662487 0.70 PAK1 (0.60) CDK1PAK1CDK4CDK2ADORA3
SCHEMBL9565545 0.69 CCNE1 (0.34) PAK1CDK2CCNE1CDK5ALDH1A1
SCHEMBL3179119 0.69 KDM4E (0.30) ALDH1A1
SCHEMBL15264144 0.69 PAK1 (0.62) CDK1PAK1CDK4CDK2ADORA3
SCHEMBL30983864 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 CDK1 3035/4885LRRK2 2637/4885PDGFRB 3942/4885

“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.

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