SCHEMBL5439307

SCHEMBL5439307

Nc1nc(-c2c(O)cccc2O)cc(C2CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 14/20 0.58
▸ HRH4 Q9H3N8 2/20 0.57
▸ CDK1 P06493 3/20 0.55
▸ CDK2 P24941 3/20 0.55
▸ CHUK O15111 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HRH3 Q9Y5N1 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
SCHEMBL5426575 0.84 IKBKB (0.67) IKBKBHRH4CDK1CDK2CHUK
Hydrochloric Acid SCHEMBL5428605 0.83 IKBKB (0.60) IKBKBCDK1CDK2CHUK
SCHEMBL5437759 0.82 IKBKB (0.67) IKBKBHRH4CDK1CDK2CHUK
SCHEMBL27673989 0.81 HRH4 (0.55) IKBKBHRH4CDK1CDK2HRH3
SCHEMBL5425642 0.79 IKBKB (0.50) IKBKBHRH4CDK1CDK2CHUK
SCHEMBL6981381 0.78 HRH4 (0.62) HRH4CDK1CDK2HSP90AA1HRH3
Hydrochloric Acid SCHEMBL5432132 0.76 CDK1 (0.64) IKBKBHRH4CDK1CDK2HRH3
SCHEMBL14491957 0.74 IKBKB (1.00) IKBKBCHUK
SCHEMBL6979605 0.73 DRD2 (0.59) IKBKBHRH4CDK1CDK2HSP90AA1
SCHEMBL5418958 0.72 IKBKB (0.69) IKBKBCDK1CDK2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 — — US claimed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 — — EP claimed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 — — US disclosed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 — — EP 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-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 IKBKB 10/4885HRH4 772/4885CDK1 477/4885

“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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