SCHEMBL4476449

SCHEMBL4476449

CC1CCCn2c(-c3ccnc(Nc4ccccc4)n3)cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
CDK2 P24941 8/20 0.44
JAK3 P52333 2/20 0.43
KDR P35968 1/20 0.43
PLK1 P53350 1/20 0.43
PTK2 Q05397 1/20 0.43
CDK4 P11802 4/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
GSK3B P49841 2/20 0.42
DYRK1A Q13627 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
SMG1 Q96Q15 1/20 0.42
JAK2 O60674 2/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL3551265 0.83 MAPK14 (0.45) MAPK14
SCHEMBL4480390 0.83 SMG1 (0.45) ABL1EGFRPRKCAPRKCDPIK3C3
SCHEMBL4476709 0.79 PRKCD (0.49) ABL1EGFRPRKCAPRKCDCDK2
SCHEMBL4496950 0.78 NPC1 (0.51) ABL1EGFRPRKCAPRKCDCDK2
SCHEMBL4193367 0.75 CDK2 (0.71) ABL1EGFRPRKCAPRKCDPIK3C3
SCHEMBL4030132 0.75 CDK2 (0.68) ABL1EGFRPRKCAPRKCDPIK3C3
SCHEMBL4025419 0.74 CDK2 (0.64) ABL1EGFRPRKCAPRKCDPIK3C3
SCHEMBL4499929 0.72 JAK2 (0.53) ABL1EGFRPRKCAPRKCDCDK2
SCHEMBL5105343 0.71 CDK2 (0.69) ABL1EGFRPRKCAPRKCDCDK2
SCHEMBL4024196 0.70 CDK2 (0.54) ABL1EGFRPRKCAPRKCDPIK3C3

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 ABL1 1213/4885EGFR 3202/4885PRKCA 1270/4885

“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.