SCHEMBL5422645

SCHEMBL5422645

Cc1ccc(O)c(-c2cc(C3CCNC3)nc(N)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.59
CDK2 P24941 10/20 0.59
HRH4 Q9H3N8 1/20 0.44
CHEK2 O96017 1/20 0.42
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
AGPAT2 O15120 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Hydrochloric Acid SCHEMBL5432381 0.99 CDK1 (0.58) CDK1CDK2HRH4CHEK2IKBKB
SCHEMBL5429356 0.93 CDK2 (0.68) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5432132 0.92 CDK1 (0.64) CDK1CDK2HRH4CHEK2IKBKB
SCHEMBL5432126 0.79 CDK2 (0.64) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5422005 0.78 CDK2 (0.63) CDK1CDK2HRH4IKBKBCHUK
SCHEMBL5435591 0.77 CDK2 (0.69) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5425584 0.76 CDK2 (0.61) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5425667 0.76 CDK2 (0.61) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5425696 0.76 CDK2 (0.67) CDK1CDK2HRH4IKBKBCHUK
Hydrochloric Acid SCHEMBL5718664 0.74 CDK2 (0.58) CDK1CDK2HRH4IKBKBCHUK

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 CDK1 477/4885CDK2 26/4885HRH4 772/4885

“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.