SCHEMBL4485573

SCHEMBL4485573

O=C(O)CCC(=O)NCc1ccnc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
AURKA O14965 4/20 0.46
AURKB Q96GD4 1/20 0.46
PRKCD Q05655 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
IKBKB O14920 2/20 0.46
CHEK1 O14757 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR3 P22607 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL4470730 0.93 SMN1; SMN2 (0.61) SMN1; SMN2AURKAAURKBPRKCDNPC1
SCHEMBL27946092 0.77 AURKA (0.51) AURKAAURKBPRKCDNPC1MAPT
SCHEMBL16353932 0.75 SMN1; SMN2 (0.83) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL13755324 0.74 AURKA (0.51) AURKAAURKBPRKCDNPC1MAPT
SCHEMBL4474314 0.73 VSIR (0.60) SMN1; SMN2AURKAAURKBPRKCDNPC1
SCHEMBL25879066 0.71 GSK3A (0.57) AURKAAURKBPRKCDNPC1MAPT
SCHEMBL5962070 0.71 AURKA (0.59) AURKAAURKBPRKCDNPC1MAPT
SCHEMBL7668890 0.70 CXCR4 (0.49) AURKAAURKBNPC1RAB9A
SCHEMBL29484634 0.68 AURKA (0.59) AURKAAURKBPRKCDNPC1MAPT
SCHEMBL670431 0.68 KDM4E (0.62) AURKAAURKBPRKCDNPC1MAPT

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-7579344-B2 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2009-08-25 US disclosed
US-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2006-10-12 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-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity TYMP, CCNI, MKI67 SMN1; SMN2 2402/4885AURKA 305/4885AURKB 252/4885

“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.