SCHEMBL5198162

SCHEMBL5198162

O=c1[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KDR P35968 1/20 0.34
PDPK1 O15530 1/20 0.33
AURKA O14965 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL5198845 0.89 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL5196594 0.89 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL5198165 0.80 GDA (0.52)
SCHEMBL2623144 0.78 TK1 (0.47) PIM1
SCHEMBL5021600 0.78 PIM1 (0.38) PNPKDM4EALDH1A1GAAHPGD
SCHEMBL2623142 0.75 HPGD (0.52) PNPHPGDTSHRHTTPIM1
SCHEMBL1425017 0.74 ADORA2A (0.52) KDM4EHSD17B10TSHRKDRPDPK1
SCHEMBL3774142 0.73 TK1 (0.41) PNP
SCHEMBL23931581 0.72 PNP (0.42) PNPKDM4EALDH1A1HSD17B10GAA
SCHEMBL28969 0.72 PDPK1 (0.41) PNPKDM4EALDH1A1HSD17B10GAA

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
EP-1816135-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof Ajinomoto Co., Inc. (JP) 2007-08-08 EP disclosed
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 PNP 1/4885KDM4E 3367/4885ALDH1A1 385/4885

“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.