SCHEMBL5436668

SCHEMBL5436668

FC(F)(F)Nc1ncc2nc[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.35
ULK1 O75385 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
CDK4 P11802 2/20 0.32
MAPK3 P27361 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30850669 0.78 CDK4 (0.35) CDK1ULK1ULK2CDK4MAPK3
SCHEMBL1451044 0.76
SCHEMBL5072697 0.76 EGFR (0.36) CDK1ULK1KDM4EALDH1A1GLA
SCHEMBL7522894 0.76 KDM4E (0.33) CDK1KDM4EALDH1A1GLAGAA
SCHEMBL9356677 0.76 KDM4E (0.33) CDK1KDM4EALDH1A1GLAGAA
SCHEMBL5828206 0.76 KDM4E (0.36) CDK1KDM4EALDH1A1GLAGAA
SCHEMBL30677393 0.76 KDM4E (0.36) CDK1KDM4EALDH1A1GLAGAA
SCHEMBL30850504 0.76 EGFR (0.36) CDK1ULK1KDM4EALDH1A1GLA
SCHEMBL4480587 0.76 KDM4E (0.33) CDK1KDM4EALDH1A1GLAGAA
SCHEMBL30199097 0.74 CDK1 (0.34) CDK1ULK1ULK2CDK4MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof AJINOMOTO CO. INC. (JP) 2007-08-02 US 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-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof PNP, NUDT1, ADAR CDK1 2570/4885ULK1 3937/4885ULK2 3601/4885

“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.