SCHEMBL4474314

SCHEMBL4474314

OCCNCc1ccnc(Nc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 8/20 0.60
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51
PRKCD Q05655 2/20 0.50
AURKA O14965 2/20 0.50
CHEK1 O14757 1/20 0.50
IKBKB O14920 1/20 0.50
NPC1 O15118 1/20 0.50
PDPK1 O15530 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50
LYN P07948 1/20 0.50
MAPT P10636 1/20 0.50
KIT P10721 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
FGFR3 P22607 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL13755324 0.78 AURKA (0.51) PRKCDAURKACHEK1IKBKBNPC1
SCHEMBL5962070 0.75 AURKA (0.59) PRKCDAURKACHEK1IKBKBNPC1
SCHEMBL30577040 0.75 VSIR (1.00) VSIRRECQLMCL1KCNH3TDP1
SCHEMBL29118577 0.75 VSIR (1.00) VSIRRECQLMCL1KCNH3TDP1
SCHEMBL31059888 0.74 AURKA (0.62) RECQLMCL1PRKCDAURKACHEK1
SCHEMBL8287024 0.74 AURKA (0.62) RECQLMCL1PRKCDAURKACHEK1
SCHEMBL4485573 0.73 SMN1; SMN2 (0.50) PRKCDAURKACHEK1IKBKBNPC1
SCHEMBL27946092 0.72 AURKA (0.51) PRKCDAURKACHEK1IKBKBNPC1
SCHEMBL6820237 0.72 CD274 (0.36) VSIR
SCHEMBL7928861 0.72 AURKA (0.54) PRKCDAURKACHEK1IKBKBNPC1

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 4 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
EP-1636227-A1 PYRIMIDINE DERIVATIVES POSSESSING CELL-CYCLE INHIBITORY ACTIVITY Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2004101564-A1 PYRIMIDINE DERIVATIVES POSSESSING CELL-CYCLE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2004-11-25 WO 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 VSIR 4861/4885RECQL 234/4885MCL1 194/4885

“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.