SCHEMBL4470730

SCHEMBL4470730

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
HDAC1 Q13547 3/20 0.47
JAK2 O60674 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EGFR P00533 2/20 0.47
ERBB3 P21860 1/20 0.47
GAA P10253 1/20 0.44
AURKA O14965 3/20 0.44
AURKB Q96GD4 1/20 0.44
PRKCD Q05655 2/20 0.43
CHEK1 O14757 1/20 0.43
IKBKB O14920 1/20 0.43
NPC1 O15118 1/20 0.43
PDPK1 O15530 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
MAPT P10636 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL4485573 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HDAC1JAK2HDAC6EGFR
SCHEMBL9385223 0.76 SMN1; SMN2 (1.00) SMN1; SMN2GAANPC1RAB9AHPGD
SCHEMBL27946092 0.75 AURKA (0.51) HDAC1JAK2HDAC6EGFRAURKA
SCHEMBL13755324 0.72 AURKA (0.51) JAK2EGFRAURKAAURKBPRKCD
SCHEMBL23869794 0.72 SMN1; SMN2 (0.53) SMN1; SMN2HDAC1GAANPC1MAPK1
SCHEMBL4474314 0.71 VSIR (0.60) SMN1; SMN2EGFRAURKAAURKBPRKCD
SCHEMBL5962070 0.70 AURKA (0.59) EGFRGAAAURKAAURKBPRKCD
SCHEMBL9208372 0.69 GAA (0.89) SMN1; SMN2GAALMNATSHRMEN1
SCHEMBL23869736 0.69 SMN1; SMN2 (0.49) SMN1; SMN2HDAC1GAAATMHPGD
SCHEMBL7668890 0.68 CXCR4 (0.49) GAAAURKAAURKBNPC1RAB9A

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 2402/4885HDAC1 762/4885JAK2 2801/4885

“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.