SCHEMBL5437759

SCHEMBL5437759

CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)nc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 18/20 0.67
▸ CHUK O15111 1/20 0.51
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ HRH4 Q9H3N8 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
SCHEMBL5439238 0.89 IKBKB (0.69) IKBKBCDK1CDK2
SCHEMBL5426575 0.86 IKBKB (0.67) IKBKBCHUKCDK1CDK2HRH4
SCHEMBL5439307 0.82 IKBKB (0.58) IKBKBCHUKCDK1CDK2HRH4
SCHEMBL5425642 0.81 IKBKB (0.50) IKBKBCHUKCDK1CDK2HRH4
SCHEMBL14028392 0.81 IKBKB (1.00) IKBKBCHUK
SCHEMBL5422013 0.78 IKBKB (0.56) IKBKBCDK1CDK2
Hydrochloric Acid SCHEMBL5433883 0.77 IKBKB (0.67) IKBKBCDK1CDK2
SCHEMBL14046516 0.76 IKBKB (0.80) IKBKB
SCHEMBL5418958 0.74 IKBKB (0.69) IKBKBCHUKCDK1CDK2
SCHEMBL5432223 0.74 IKBKB (0.70) IKBKBCHUKCDK1CDK2

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 6 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
CN-1942463-A 2-aminopyridine derivative ASTELLAS PHARMA INC (JP) 2007-04-04 — — CN 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
CN-1942463-A 2-aminopyridine derivative ASTELLAS PHARMA INC (JP) 2007-04-04 — — CN 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 10/4885CHUK 13/4885CDK1 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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