SCHEMBL5429356

SCHEMBL5429356

Cc1ccc(O)c(-c2cc(C3CCCNC3)nc(N)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.68
CDK1 P06493 6/20 0.68
IKBKB O14920 7/20 0.46
CHUK O15111 1/20 0.46
CHEK1 O14757 5/20 0.44
CCNA2 P20248 4/20 0.44
CCNA1 P78396 4/20 0.44
HRH4 Q9H3N8 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
SCHEMBL5422645 0.93 CDK1 (0.59) CDK2CDK1IKBKBCHUKHRH4
Hydrochloric Acid SCHEMBL5432381 0.92 CDK1 (0.58) CDK2CDK1IKBKBCHUKHRH4
SCHEMBL5432126 0.86 CDK2 (0.64) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5422005 0.85 CDK2 (0.63) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5432132 0.85 CDK1 (0.64) CDK2CDK1IKBKBHRH4
SCHEMBL5435591 0.85 CDK2 (0.69) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5425696 0.84 CDK2 (0.67) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5425667 0.83 CDK2 (0.61) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5425584 0.83 CDK2 (0.61) CDK2CDK1IKBKBCHUKCHEK1
Hydrochloric Acid SCHEMBL5718664 0.81 CDK2 (0.58) CDK2CDK1IKBKBCHUKCHEK1

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 CDK2 26/4885CDK1 477/4885IKBKB 10/4885

“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.