SCHEMBL5431378

SCHEMBL5431378

CN1CCCC(c2cc(-c3ccccc3O)nc(N)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.62
▸ CDK1 P06493 6/20 0.52
▸ CDK2 P24941 6/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HRH4 Q9H3N8 2/20 0.43
▸ SMARCA2 P51531 5/20 0.43
▸ SMARCA4 P51532 5/20 0.43
▸ PBRM1 Q86U86 5/20 0.43
▸ NR1I2 O75469 4/20 0.43
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 1/20 0.41

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
SCHEMBL5718611 0.84 MEN1 (0.52) IKBKBCDK1CDK2MEN1LMNA
SCHEMBL5427237 0.80 SMARCA2 (0.53) IKBKBCDK1CDK2MEN1LMNA
SCHEMBL14028427 0.77 IKBKB (1.00) IKBKB
SCHEMBL5435591 0.77 CDK2 (0.69) IKBKBCDK1CDK2MEN1LMNA
Hydrochloric Acid SCHEMBL5425696 0.76 CDK2 (0.67) IKBKBCDK1CDK2MEN1LMNA
SCHEMBL18013632 0.74 IKBKB (0.40) IKBKBCDK1CDK2HRH4MAP3K12
SCHEMBL5432337 0.74 SMN1; SMN2 (0.51) IKBKBCDK1CDK2MEN1LMNA
SCHEMBL20861913 0.72 IKBKB (0.53) IKBKBLMNA
SCHEMBL18013616 0.71 HRH4 (0.39) IKBKBHRH4MAP3K12
SCHEMBL2169029 0.71 HRH4 (0.69) CDK1CDK2HRH4

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
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 10/4885CDK1 477/4885CDK2 26/4885

“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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